data_2mj4_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 2mj4 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 12.8 tp . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -109.72 145.89 35.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.343 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 1.14 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 11.1 m -137.71 137.27 38.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 108.334 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.562 ' CD2' ' HB3' ' A' ' 61' ' ' ASN . 35.4 m-70 -62.31 138.64 58.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.592 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.44 ' OD1' ' C ' ' A' ' 5' ' ' ASN . 4.7 p30 -120.87 10.21 10.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.42 ' NE2' ' HA ' ' A' ' 12' ' ' PRO . 2.8 pt20 -68.25 141.39 55.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.449 ' O ' ' C ' ' A' ' 8' ' ' SER . 2.1 mm-40 -106.63 159.07 16.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.323 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 7' ' ' GLN . 3.6 m 35.49 -135.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.988 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 10' ' ' GLN . 66.7 m -90.8 -1.04 57.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.999 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.561 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 36.1 mm-40 -44.24 168.83 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.336 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.561 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.8 Cg_exo -58.92 131.68 43.19 Favored 'Trans proline' 0 C--N 1.325 -0.699 0 C-N-CA 124.369 3.379 . . . . 0.0 109.872 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.42 ' HA ' ' NE2' ' A' ' 6' ' ' GLN . 51.6 Cg_exo -58.86 126.57 21.54 Favored 'Trans proline' 0 C--N 1.325 -0.669 0 C-N-CA 124.343 3.362 . . . . 0.0 109.89 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.465 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.0 p -132.85 174.47 10.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.419 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 p -145.52 157.85 43.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.168 . . . . 0.0 110.41 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.411 ' HD3' ' N ' ' A' ' 16' ' ' THR . 6.3 tmtt? -149.0 148.93 30.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.411 ' N ' ' HD3' ' A' ' 15' ' ' LYS . 3.7 m -77.62 132.9 38.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.407 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 1.14 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -87.04 121.9 30.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 108.312 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.6 t -102.91 116.49 32.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 109.96 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 78.81 -11.11 28.76 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.498 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 14.9 mt-10 -103.33 159.88 15.18 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.52 0.776 . . . . 0.0 110.254 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.2 p -138.91 15.46 2.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 110.44 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.501 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 22.8 m-80 -134.92 155.12 51.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.478 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 52.8 m -117.2 137.18 52.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 108.348 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.657 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 12.5 p90 -116.9 152.91 33.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.467 ' HG2' ' CE3' ' A' ' 27' ' ' TRP . 20.4 ttpp -139.44 117.9 12.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.521 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 8.3 mtmt -109.3 141.76 41.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.579 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 27.9 p90 -159.3 144.83 16.01 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.642 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 37.9 p90 -160.43 170.09 21.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 107.97 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.4 m -104.97 153.72 21.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 109.986 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.492 ' OD2' ' CD1' ' A' ' 35' ' ' ILE . 87.6 m-20 -147.93 166.94 26.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 31.1 m80 -67.19 -10.59 52.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.639 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.8 ttp85 -102.4 -28.17 12.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.12 -174.92 33.26 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.48 1.113 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.5 m -87.11 114.27 23.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 0.79 . . . . 0.0 110.398 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.642 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 15.6 mt -89.85 134.61 28.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.409 ' O ' ' HA ' ' A' ' 7' ' ' GLN . 8.0 mt -130.14 124.18 57.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.433 ' HB3' ' CE ' ' A' ' 26' ' ' LYS . 35.1 tp10 -129.44 114.49 16.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.454 ' NH1' ' C ' ' A' ' 61' ' ' ASN . 50.5 mtt180 -119.73 160.43 22.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.657 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -176.73 -176.05 44.56 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.522 1.139 . . . . 0.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.0 m -84.21 151.58 24.75 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.68 -165.9 24.87 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.527 1.142 . . . . 0.0 110.959 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.421 ' HA ' ' HB3' ' A' ' 24' ' ' TYR . 36.9 t -145.93 74.03 13.4 Favored Pre-proline 0 C--N 1.325 -0.461 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.523 ' HD2' ' CB ' ' A' ' 24' ' ' TYR . 61.5 Cg_endo -69.81 -179.49 2.97 Favored 'Trans proline' 0 C--N 1.325 -0.694 0 C-N-CA 124.173 3.249 . . . . 0.0 110.831 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.2 tptp -114.87 140.51 48.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.2 m -113.89 163.41 11.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.451 ' HB3' ' CD ' ' A' ' 47' ' ' PRO . 21.3 mttp -85.5 169.92 14.59 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.451 ' CD ' ' HB3' ' A' ' 46' ' ' LYS . 52.0 Cg_exo -58.94 133.76 55.72 Favored 'Trans proline' 0 C--N 1.324 -0.731 0 C-N-CA 124.382 3.388 . . . . 0.0 109.834 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.39 -35.24 5.1 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.506 1.128 . . . . 0.0 111.025 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.452 HG11 ' CE3' ' A' ' 28' ' ' TRP . 2.5 t -81.47 145.86 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 0.759 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.579 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 51.9 m-80 -98.91 143.75 28.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.423 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 21.7 tp -144.14 139.28 28.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.427 ' O ' ' HA ' ' A' ' 24' ' ' TYR . 8.3 t30 -138.4 120.49 15.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.362 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 65.8 m -111.36 145.06 39.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 108.28 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 p -153.33 163.78 39.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 108.257 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.501 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 31.2 mtp180 -111.95 45.76 1.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.133 . . . . 0.0 110.34 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.565 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -132.38 144.27 50.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.414 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -61.4 139.82 58.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.0 mtt180 41.53 38.56 0.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.565 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 18.6 p -87.12 -23.08 24.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 108.316 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.478 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 22.2 p-10 -95.1 46.79 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.562 ' HB3' ' CD2' ' A' ' 4' ' ' HIS . 2.2 p-10 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 116.992 -1.48 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 12.8 tp . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -109.04 144.65 36.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 110.273 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 1.149 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 10.9 m -137.48 137.2 38.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 108.288 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.47 ' HA ' ' O ' ' A' ' 13' ' ' THR . 37.7 m-70 -62.89 139.76 58.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.626 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.442 ' C ' ' OD1' ' A' ' 5' ' ' ASN . 4.4 p30 -121.22 9.52 10.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.418 ' NE2' ' HB3' ' A' ' 12' ' ' PRO . 2.5 pt20 -66.72 139.28 57.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.33 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.453 ' O ' ' C ' ' A' ' 8' ' ' SER . 0.6 OUTLIER -106.33 161.53 14.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 7' ' ' GLN . 6.6 m 35.04 -132.4 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.977 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.5 m -95.06 -1.03 53.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.991 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.528 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 2.7 mt-30 -44.7 168.86 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 110.318 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.528 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.8 Cg_exo -58.94 130.6 37.39 Favored 'Trans proline' 0 C--N 1.325 -0.705 0 C-N-CA 124.341 3.36 . . . . 0.0 109.855 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.8 Cg_exo -58.92 126.79 22.14 Favored 'Trans proline' 0 C--N 1.325 -0.683 0 C-N-CA 124.357 3.372 . . . . 0.0 109.914 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.47 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.0 p -132.66 174.71 10.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.406 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 p -145.5 156.48 43.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 110.429 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.3 mtpt -147.43 149.26 32.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.444 1.09 . . . . 0.0 109.328 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.6 m -77.35 130.95 37.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.413 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 1.149 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.8 m -85.62 121.94 29.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 108.269 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.5 t -103.3 116.9 33.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.007 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 79.42 -10.88 34.17 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.484 1.115 . . . . 0.0 110.954 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.507 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 5.1 mt-10 -103.08 161.2 13.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 0.742 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.6 p -140.53 15.34 2.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.381 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.499 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 22.8 m-80 -135.64 154.89 51.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.49 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 51.5 m -117.38 138.28 51.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 108.286 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.677 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 12.1 p90 -117.96 153.33 33.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.093 . . . . 0.0 111.001 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.558 ' HE3' ' CZ3' ' A' ' 27' ' ' TRP . 17.5 ttpt -139.7 117.68 11.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.541 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 12.9 mtmt -109.36 142.75 39.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.571 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 24.3 p90 -160.12 144.38 14.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 108.011 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.625 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 35.3 p90 -162.13 171.02 18.12 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.9 t -102.66 153.18 20.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -146.36 166.46 26.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.441 ' CD2' ' H ' ' A' ' 31' ' ' HIS . 6.4 p80 -66.77 -11.3 54.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.608 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 64.1 mtt180 -102.47 -28.15 12.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.301 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.21 -174.92 33.33 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.2 m -82.92 113.13 20.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 0.794 . . . . 0.0 110.358 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.625 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 11.2 mt -88.81 131.51 36.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.405 ' O ' ' HA ' ' A' ' 7' ' ' GLN . 11.1 mt -126.66 122.4 60.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.396 1.06 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 65.5 tt0 -129.08 114.3 16.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.271 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.469 ' CD ' ' HG3' ' A' ' 25' ' ' LYS . 45.8 mtt180 -124.98 161.0 27.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.677 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -176.15 -172.68 41.12 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.567 1.167 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.7 m -84.0 150.95 25.29 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.5 -165.67 24.97 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.421 ' HA ' ' HB3' ' A' ' 24' ' ' TYR . 35.8 t -145.4 74.34 13.99 Favored Pre-proline 0 C--N 1.325 -0.465 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.527 ' HD2' ' CB ' ' A' ' 24' ' ' TYR . 61.6 Cg_endo -69.81 -179.14 2.73 Favored 'Trans proline' 0 C--N 1.325 -0.686 0 C-N-CA 124.205 3.27 . . . . 0.0 110.846 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.95 140.97 48.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.254 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.466 ' CG1' ' HD2' ' A' ' 26' ' ' LYS . 17.0 m -113.67 162.32 11.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.462 ' HB3' ' CD ' ' A' ' 47' ' ' PRO . 29.3 mtmt -85.61 170.38 13.21 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.462 ' CD ' ' HB3' ' A' ' 46' ' ' LYS . 51.7 Cg_exo -58.83 133.21 52.37 Favored 'Trans proline' 0 C--N 1.325 -0.674 0 C-N-CA 124.359 3.373 . . . . 0.0 109.855 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.39 -35.24 5.1 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.527 1.142 . . . . 0.0 110.983 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.514 HG11 ' CE3' ' A' ' 28' ' ' TRP . 2.6 t -81.49 147.21 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 0.749 . . . . 0.0 109.257 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.571 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 53.0 m-80 -100.78 144.33 29.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.337 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.452 ' CD2' HG13 ' A' ' 45' ' ' VAL . 18.1 tp -144.49 139.76 28.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.441 ' O ' ' HA ' ' A' ' 24' ' ' TYR . 2.4 t-20 -138.72 120.44 15.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 63.2 m -111.16 146.1 37.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 108.265 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 p -153.97 163.89 39.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 108.299 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.499 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 16.2 mtt85 -112.06 46.05 1.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.33 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.565 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -133.04 144.48 50.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.351 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -61.19 140.19 57.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.2 mtt180 41.02 38.24 0.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.306 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.565 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 18.9 p -86.33 -21.68 27.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 108.294 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.49 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 25.6 p-10 -95.18 47.26 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.448 ' OXT' ' NH1' ' A' ' 38' ' ' ARG . 11.5 t-20 . . . . . 0 C--O 1.25 1.125 0 CA-C-O 117.003 -1.475 . . . . 0.0 109.326 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 13.2 tp . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -111.05 145.62 38.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 1.178 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 10.0 m -137.39 137.45 38.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 0.0 108.305 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.468 ' HA ' ' O ' ' A' ' 13' ' ' THR . 37.0 m-70 -62.64 139.96 58.67 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 109.621 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.442 ' OD1' ' C ' ' A' ' 5' ' ' ASN . 4.4 p30 -121.62 9.41 10.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.448 ' O ' ' NH1' ' A' ' 38' ' ' ARG . 2.1 pt20 -66.78 140.89 57.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.442 ' O ' ' C ' ' A' ' 8' ' ' SER . 23.4 mp0 -106.31 156.74 18.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.284 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 7' ' ' GLN . 5.5 m 36.04 -133.41 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.03 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.9 m -91.33 -1.29 57.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.566 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 37.6 mm-40 -44.47 168.71 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.566 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.7 Cg_exo -58.95 128.98 29.85 Favored 'Trans proline' 0 C--N 1.325 -0.7 0 C-N-CA 124.329 3.353 . . . . 0.0 109.877 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.418 ' HB3' ' NE2' ' A' ' 6' ' ' GLN . 51.7 Cg_exo -58.93 125.48 18.32 Favored 'Trans proline' 0 C--N 1.324 -0.717 0 C-N-CA 124.344 3.363 . . . . 0.0 109.862 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.468 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.0 p -132.48 174.85 9.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.41 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -145.3 156.76 44.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.405 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.5 mttt -146.93 149.06 32.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.7 m -77.71 127.71 32.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 110.405 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 1.178 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -81.2 122.03 26.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 0.0 108.285 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.9 p -102.66 116.63 32.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.59 1.181 . . . . 0.0 110.004 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 78.35 -11.34 24.7 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.565 1.166 . . . . 0.0 110.993 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.487 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 10.2 mt-10 -103.49 156.57 17.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.272 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.9 p -135.65 15.76 3.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.377 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.499 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 23.1 m-80 -134.98 155.03 51.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.476 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 52.0 m -117.32 137.6 52.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 108.297 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.659 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 12.7 p90 -117.26 153.19 33.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.479 ' HG3' ' CD ' ' A' ' 38' ' ' ARG . 24.1 ttpt -140.39 117.62 11.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.532 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 6.9 mttt -109.26 142.63 39.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.582 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 25.4 p90 -159.29 144.67 15.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 108.002 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.626 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 36.6 p90 -161.3 171.03 19.05 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 96.9 p -103.82 152.98 21.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.014 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -146.57 166.97 24.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -67.28 -11.07 56.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.585 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.0 mmm-85 -102.37 -28.13 12.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.07 -174.99 33.22 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.486 1.116 . . . . 0.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.8 m -84.24 113.61 21.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 0.758 . . . . 0.0 110.432 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.626 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 13.5 mt -89.3 132.69 33.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.473 HG22 ' CZ ' ' A' ' 38' ' ' ARG . 8.1 mt -128.99 122.64 57.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -126.87 114.31 17.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.326 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.479 ' CD ' ' HG3' ' A' ' 25' ' ' LYS . 12.7 mtt85 -118.99 160.74 21.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.659 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -177.99 -176.25 45.81 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.469 1.105 . . . . 0.0 111.025 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.434 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 19.0 m -85.04 152.02 23.74 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.402 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 95.62 -165.63 24.79 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.415 ' HA ' ' HB3' ' A' ' 24' ' ' TYR . 37.3 t -145.98 73.47 13.46 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.523 ' HD2' ' CB ' ' A' ' 24' ' ' TYR . 61.8 Cg_endo -69.79 -179.28 2.81 Favored 'Trans proline' 0 C--N 1.325 -0.669 0 C-N-CA 124.188 3.259 . . . . 0.0 110.83 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.0 140.63 48.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.7 m -113.74 163.56 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.447 ' HB3' ' CD ' ' A' ' 47' ' ' PRO . 22.5 mtpt -85.44 169.78 15.03 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.447 ' CD ' ' HB3' ' A' ' 46' ' ' LYS . 51.8 Cg_exo -58.86 133.88 56.65 Favored 'Trans proline' 0 C--N 1.325 -0.677 0 C-N-CA 124.402 3.401 . . . . 0.0 109.845 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.2 -35.15 5.15 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.523 1.139 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.493 HG13 ' CE3' ' A' ' 28' ' ' TRP . 2.6 t -81.63 146.26 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.56 0.8 . . . . 0.0 109.327 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.582 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 52.7 m-80 -99.22 144.85 27.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.418 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 22.4 tp -145.15 139.66 27.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.43 ' O ' ' HA ' ' A' ' 24' ' ' TYR . 2.1 t30 -138.74 120.92 15.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.359 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.445 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 63.6 m -111.37 145.25 39.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 108.275 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 p -152.98 163.72 39.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 108.32 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.499 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 14.3 mtm-85 -112.2 46.06 1.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.337 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.568 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -133.02 144.26 49.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.398 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -61.26 140.39 57.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.1 mtt180 41.1 37.82 0.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.568 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 18.1 p -86.37 -23.31 26.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 0.0 108.325 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.476 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 19.4 p-10 -95.47 48.81 1.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 . . . . . 0 C--O 1.25 1.127 0 CA-C-O 116.989 -1.482 . . . . 0.0 109.317 179.973 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 13.1 tp . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 33.8 mp0 -111.08 145.68 38.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 1.154 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 10.5 m -137.57 137.55 38.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 108.311 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.465 ' HA ' ' O ' ' A' ' 13' ' ' THR . 37.3 m-70 -62.94 136.96 58.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.584 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.441 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 4.4 p-10 -119.61 15.11 12.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.26 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.451 ' O ' ' NH1' ' A' ' 38' ' ' ARG . 2.0 pt20 -72.83 141.65 48.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.5 ' CG ' ' N ' ' A' ' 8' ' ' SER . 21.2 tt0 -106.61 159.41 16.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.5 ' N ' ' CG ' ' A' ' 7' ' ' GLN . 4.9 m 34.81 -133.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.999 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.9 p -92.58 -0.69 57.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.013 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.549 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 2.3 mm100 -44.42 169.15 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.549 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.8 Cg_exo -58.93 128.06 26.58 Favored 'Trans proline' 0 C--N 1.324 -0.726 0 C-N-CA 124.395 3.396 . . . . 0.0 109.856 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.424 ' HB3' ' NE2' ' A' ' 6' ' ' GLN . 51.9 Cg_exo -58.85 125.69 18.97 Favored 'Trans proline' 0 C--N 1.325 -0.682 0 C-N-CA 124.339 3.36 . . . . 0.0 109.874 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.465 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.1 p -132.7 175.11 9.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.41 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 p -144.26 157.86 44.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.411 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.7 tptt -148.79 149.07 30.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.347 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.6 m -77.44 130.07 36.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.415 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 1.154 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -83.7 122.13 28.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 108.279 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 89.7 p -102.82 116.62 32.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.965 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 78.87 -11.21 28.78 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.503 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 5.7 mt-10 -103.35 159.4 15.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 0.754 . . . . 0.0 110.296 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.1 p -138.53 15.51 2.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.407 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.501 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 23.0 m-80 -135.46 155.14 51.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.477 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 50.5 m -117.26 137.47 52.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 108.293 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.635 ' CE2' ' C ' ' A' ' 39' ' ' GLY . 16.9 p90 -117.79 153.32 33.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.975 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.488 ' HG3' ' CD ' ' A' ' 38' ' ' ARG . 36.9 tttm -140.77 118.72 11.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.534 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 0.2 OUTLIER -110.14 143.31 40.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.58 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 25.7 p90 -159.53 144.74 15.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 108.029 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.619 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 34.1 p90 -161.7 171.09 18.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 107.983 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 94.8 p -103.43 152.59 21.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.95 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.418 ' OD1' ' CD1' ' A' ' 28' ' ' TRP . 1.4 m-20 -145.93 166.99 24.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.353 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 41.1 p-80 -67.08 -11.19 56.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.544 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -102.43 -28.23 12.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 110.333 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.0 -175.05 33.15 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.12 . . . . 0.0 111.001 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.1 m -83.61 113.81 21.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.767 . . . . 0.0 110.411 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.619 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 13.7 mt -89.42 132.84 33.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.482 HG23 ' CZ ' ' A' ' 38' ' ' ARG . 8.7 mt -128.6 123.52 59.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -128.03 114.32 16.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 110.333 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.488 ' CD ' ' HG3' ' A' ' 25' ' ' LYS . 12.3 mtt85 -119.49 160.86 21.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.262 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.635 ' C ' ' CE2' ' A' ' 24' ' ' TYR . . . -178.39 -175.86 45.84 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.545 1.153 . . . . 0.0 110.985 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.418 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 20.4 m -85.24 151.94 23.7 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.402 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 95.73 -166.37 25.05 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.13 . . . . 0.0 111.034 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.442 ' HA ' ' HB3' ' A' ' 24' ' ' TYR . 37.3 t -145.29 73.76 14.25 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.526 ' HD2' ' CB ' ' A' ' 24' ' ' TYR . 61.5 Cg_endo -69.75 -179.44 2.91 Favored 'Trans proline' 0 C--N 1.324 -0.711 0 C-N-CA 124.199 3.266 . . . . 0.0 110.874 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.0 ptpt -115.28 140.74 48.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.461 HG13 ' CE ' ' A' ' 26' ' ' LYS . 18.3 m -113.93 163.54 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.45 ' HB3' ' CD ' ' A' ' 47' ' ' PRO . 28.8 mtpt -85.59 169.96 14.41 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.341 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.45 ' CD ' ' HB3' ' A' ' 46' ' ' LYS . 51.7 Cg_exo -58.88 133.77 55.89 Favored 'Trans proline' 0 C--N 1.324 -0.714 0 C-N-CA 124.422 3.414 . . . . 0.0 109.876 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.36 -35.27 5.08 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.522 1.139 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.445 HG11 ' CE3' ' A' ' 28' ' ' TRP . 2.6 t -81.5 146.7 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 0.76 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.58 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 53.1 m-80 -99.86 144.34 29.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.256 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.417 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 27.0 tp -145.21 139.77 27.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.434 ' O ' ' HA ' ' A' ' 24' ' ' TYR . 3.2 t-20 -139.04 121.75 16.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.436 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 62.2 m -111.89 145.86 38.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 108.269 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 p -153.46 163.6 39.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 108.28 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.501 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 39.5 mtt180 -112.12 45.96 1.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 110.284 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.567 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -132.73 144.31 50.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.416 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -61.37 140.24 58.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.401 ' O ' ' ND2' ' A' ' 61' ' ' ASN . 14.7 mtt180 41.3 37.81 0.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.567 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 18.1 p -86.4 -23.33 26.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 108.299 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.477 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 19.1 p-10 -95.49 49.11 1.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.455 ' O ' ' CZ ' ' A' ' 38' ' ' ARG . 1.6 m120 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 117.045 -1.455 . . . . 0.0 109.34 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 13.1 tp . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -110.44 145.55 37.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 110.291 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 1.168 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 10.7 m -137.38 137.35 38.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 108.293 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.469 ' HA ' ' O ' ' A' ' 13' ' ' THR . 37.7 m-70 -62.86 139.18 58.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.599 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.441 ' OD1' ' C ' ' A' ' 5' ' ' ASN . 4.6 p30 -120.99 10.31 10.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.448 ' O ' ' NH1' ' A' ' 38' ' ' ARG . 2.1 pt20 -67.28 141.21 57.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.491 ' CG ' ' N ' ' A' ' 8' ' ' SER . 22.8 tt0 -106.56 159.01 16.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.491 ' N ' ' CG ' ' A' ' 7' ' ' GLN . 5.7 m 34.66 -133.06 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.036 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.3 m -92.64 -1.39 56.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 110.016 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.544 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 2.1 mm100 -44.44 169.14 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.282 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.544 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.7 Cg_exo -58.99 129.47 32.07 Favored 'Trans proline' 0 C--N 1.325 -0.69 0 C-N-CA 124.322 3.348 . . . . 0.0 109.883 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.42 ' HB3' ' NE2' ' A' ' 6' ' ' GLN . 51.9 Cg_exo -58.86 126.41 21.08 Favored 'Trans proline' 0 C--N 1.325 -0.699 0 C-N-CA 124.349 3.366 . . . . 0.0 109.856 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.469 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.0 p -132.42 175.13 9.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.383 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -145.19 157.31 44.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 110.372 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.6 tptt -147.81 148.76 31.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.5 m -77.76 128.76 34.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 0.0 110.364 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 1.168 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -82.14 122.08 27.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 108.277 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 m -102.53 116.54 32.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.038 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.73 -10.9 22.34 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.537 1.148 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.486 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 10.8 mt-10 -103.69 157.08 17.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.777 . . . . 0.0 110.318 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.2 p -136.19 15.9 3.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.083 . . . . 0.0 110.426 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.499 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 22.3 m-80 -134.97 155.19 51.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.481 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 46.2 m -117.54 136.83 52.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 108.296 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.655 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 13.0 p90 -116.1 151.21 36.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.474 ' HG3' ' CD ' ' A' ' 38' ' ' ARG . 5.7 ttpm? -136.19 117.14 14.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.582 ' HD2' ' CZ3' ' A' ' 28' ' ' TRP . 2.2 ttmm -108.98 141.67 40.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.612 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 22.8 p90 -160.62 143.63 13.21 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.59 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 29.0 p90 -159.7 171.13 20.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 108.032 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 84.6 p -104.43 152.85 21.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.964 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -146.45 166.96 24.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.41 ' N ' ' HD1' ' A' ' 31' ' ' HIS . 1.0 OUTLIER -67.5 -10.41 51.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.613 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -102.51 -28.18 12.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.313 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.11 -174.88 33.26 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.482 1.114 . . . . 0.0 111.019 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.1 m -85.23 113.37 21.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 110.399 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.59 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 13.6 mt -89.87 132.91 33.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.48 HG21 ' CZ ' ' A' ' 38' ' ' ARG . 9.1 mt -127.96 124.19 62.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -128.87 114.24 16.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.334 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.48 ' CZ ' HG21 ' A' ' 36' ' ' ILE . 13.5 mtt85 -119.02 160.78 21.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.655 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -177.45 -177.07 46.04 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.525 1.141 . . . . 0.0 111.014 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.451 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 19.0 m -84.34 151.97 24.4 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.415 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 95.62 -166.98 25.5 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.529 1.143 . . . . 0.0 110.933 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.411 ' HA ' ' HB3' ' A' ' 24' ' ' TYR . 37.6 t -145.91 74.28 13.37 Favored Pre-proline 0 C--N 1.326 -0.431 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.489 ' HD2' ' CB ' ' A' ' 24' ' ' TYR . 61.6 Cg_endo -69.86 178.28 4.79 Favored 'Trans proline' 0 C--N 1.325 -0.67 0 C-N-CA 124.169 3.246 . . . . 0.0 110.798 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.05 139.77 46.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.407 HG13 ' NZ ' ' A' ' 26' ' ' LYS . 11.8 m -114.77 161.97 13.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.467 ' HB3' ' CD ' ' A' ' 47' ' ' PRO . 12.9 mtpp -86.72 170.28 12.78 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.467 ' CD ' ' HB3' ' A' ' 46' ' ' LYS . 51.8 Cg_exo -58.95 134.58 61.03 Favored 'Trans proline' 0 C--N 1.325 -0.675 0 C-N-CA 124.319 3.346 . . . . 0.0 109.877 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.28 -35.46 4.94 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.411 HG12 ' CG ' ' A' ' 26' ' ' LYS . 2.5 t -82.0 145.56 8.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.495 0.762 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.612 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 52.4 m-80 -99.78 141.48 32.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.438 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 36.0 tp -141.74 140.39 33.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.423 ' O ' ' HA ' ' A' ' 24' ' ' TYR . 12.2 t-20 -138.66 118.13 12.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.456 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 64.4 m -109.86 145.36 36.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 108.306 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 p -153.48 163.4 40.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 108.331 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.499 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 24.1 mtp180 -112.21 46.13 1.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.561 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -133.37 144.33 49.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 110.398 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -61.26 140.41 57.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.427 ' O ' ' ND2' ' A' ' 61' ' ' ASN . 24.1 mtt180 40.98 38.06 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.561 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 19.2 p -86.17 -23.4 26.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 108.328 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.481 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 23.7 p-10 -95.44 48.7 1.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.431 ' OXT' ' CZ ' ' A' ' 38' ' ' ARG . 7.6 m-80 . . . . . 0 C--O 1.25 1.124 0 CA-C-O 116.971 -1.49 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 13.0 tp . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -111.49 146.09 37.88 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.49 1.119 . . . . 0.0 110.256 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 1.154 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 11.0 m -137.16 137.53 39.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 108.241 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.55 ' CD2' ' HB3' ' A' ' 61' ' ' ASN . 36.5 m-70 -62.21 136.36 57.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.609 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.44 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 4.8 p-10 -119.59 14.93 12.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.44 ' CD ' ' HA ' ' A' ' 12' ' ' PRO . 2.6 pt20 -75.0 142.11 43.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.459 ' O ' ' C ' ' A' ' 8' ' ' SER . 0.3 OUTLIER -106.7 160.16 15.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.11 . . . . 0.0 110.263 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.459 ' C ' ' O ' ' A' ' 7' ' ' GLN . 3.7 m 35.11 -135.21 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.017 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 10' ' ' GLN . 75.3 p -91.41 0.06 57.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.969 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.566 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 37.4 mm-40 -44.28 169.13 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 110.277 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.566 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 52.0 Cg_exo -58.93 128.8 29.23 Favored 'Trans proline' 0 C--N 1.325 -0.685 0 C-N-CA 124.35 3.367 . . . . 0.0 109.813 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.44 ' HA ' ' CD ' ' A' ' 6' ' ' GLN . 51.6 Cg_exo -58.85 124.59 16.07 Favored 'Trans proline' 0 C--N 1.325 -0.703 0 C-N-CA 124.377 3.384 . . . . 0.0 109.906 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.456 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.1 p -132.79 174.3 10.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 110.407 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 p -144.82 158.07 43.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.406 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.7 ttmt -148.09 148.98 31.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.9 m -77.53 128.85 34.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 110.367 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 1.154 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -82.2 122.24 27.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 108.347 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.5 p -102.53 116.49 32.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 110.001 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 78.39 -11.45 24.51 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.518 1.136 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.489 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 9.9 mt-10 -103.53 157.39 17.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 110.277 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.3 p -136.56 15.79 3.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.417 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.499 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 22.9 m-80 -135.15 154.87 51.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.48 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 50.9 m -117.09 137.63 52.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 108.293 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.645 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 12.9 p90 -117.39 150.77 38.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.442 ' HE2' ' CZ3' ' A' ' 27' ' ' TRP . 3.4 ttpm? -137.25 116.48 12.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.584 ' HE2' ' CZ3' ' A' ' 28' ' ' TRP . 27.4 tttt -109.36 143.18 39.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.593 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 26.7 p90 -159.36 144.32 15.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 107.958 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.59 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 18.3 p90 -159.16 171.11 20.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 107.983 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.7 p -103.77 152.51 21.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 110.036 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -144.81 167.02 23.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -67.08 -10.55 51.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.636 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 57.2 mtp180 -102.44 -28.25 12.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.279 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 154.86 -175.12 33.02 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.501 1.126 . . . . 0.0 110.963 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.4 m -82.68 115.04 21.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 0.778 . . . . 0.0 110.377 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.59 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 14.6 mt -92.74 134.54 30.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.484 HG21 ' CZ ' ' A' ' 38' ' ' ARG . 7.1 mt -129.5 127.11 64.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -130.23 114.44 15.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.278 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.484 ' CZ ' HG21 ' A' ' 36' ' ' ILE . 11.0 mtt85 -116.53 160.84 20.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.645 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -177.82 -178.85 47.66 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.531 1.144 . . . . 0.0 110.999 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.448 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 19.4 m -84.44 152.31 24.08 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.7 -165.63 24.69 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.535 1.147 . . . . 0.0 111.007 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.418 ' HA ' ' HB3' ' A' ' 24' ' ' TYR . 36.9 t -146.11 73.74 13.24 Favored Pre-proline 0 C--N 1.324 -0.506 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.524 ' HD2' ' CB ' ' A' ' 24' ' ' TYR . 62.1 Cg_endo -69.78 -179.21 2.76 Favored 'Trans proline' 0 C--N 1.325 -0.682 0 C-N-CA 124.174 3.25 . . . . 0.0 110.862 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -114.96 140.74 48.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.9 m -113.78 163.76 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.438 ' HB3' ' CD ' ' A' ' 47' ' ' PRO . 2.0 mtmp? -85.25 169.53 15.9 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.438 ' CD ' ' HB3' ' A' ' 46' ' ' LYS . 52.0 Cg_exo -59.01 133.52 53.97 Favored 'Trans proline' 0 C--N 1.325 -0.665 0 C-N-CA 124.358 3.372 . . . . 0.0 109.846 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.14 -35.26 5.07 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.472 1.107 . . . . 0.0 111.046 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.482 HG11 ' CE ' ' A' ' 26' ' ' LYS . 3.9 t -79.61 149.11 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.593 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 55.1 m-80 -101.86 143.43 31.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.421 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 29.3 tp -145.37 139.73 27.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.427 ' O ' ' HA ' ' A' ' 24' ' ' TYR . 1.1 t30 -138.91 120.52 15.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.441 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 62.9 m -110.73 145.45 38.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 108.298 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 p -153.49 163.76 39.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 108.257 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.499 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 12.1 mtm-85 -112.08 46.05 1.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.142 . . . . 0.0 110.254 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.567 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -132.95 144.28 50.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 110.426 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -61.34 140.2 58.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 22.8 mtt180 41.38 37.92 0.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.567 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 18.0 p -86.67 -22.85 25.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 108.278 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.48 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 20.5 p-10 -95.44 48.62 1.16 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.55 ' HB3' ' CD2' ' A' ' 4' ' ' HIS . 23.2 p-10 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 116.984 -1.484 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . 0.429 ' CD2' ' C ' ' A' ' 21' ' ' THR . 15.2 tp . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -106.6 145.48 31.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.271 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 1.195 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 11.4 m -137.88 137.21 37.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 108.279 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.444 ' HA ' ' O ' ' A' ' 13' ' ' THR . 36.6 m-70 -63.03 137.15 58.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.625 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.44 ' C ' ' OD1' ' A' ' 5' ' ' ASN . 5.0 p30 -120.05 11.28 11.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.433 ' CD ' ' HA ' ' A' ' 12' ' ' PRO . 2.6 pt20 -71.35 142.29 50.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.46 ' O ' ' C ' ' A' ' 8' ' ' SER . 2.0 pt20 -106.7 159.21 16.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.46 ' C ' ' O ' ' A' ' 7' ' ' GLN . 3.8 m 34.97 -135.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 10' ' ' GLN . 99.7 p -90.52 -0.79 57.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.971 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.563 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 36.8 mm-40 -44.26 169.1 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.266 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.563 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.7 Cg_exo -58.91 129.54 32.5 Favored 'Trans proline' 0 C--N 1.325 -0.685 0 C-N-CA 124.363 3.375 . . . . 0.0 109.846 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.433 ' HA ' ' CD ' ' A' ' 6' ' ' GLN . 51.7 Cg_exo -58.85 125.99 19.86 Favored 'Trans proline' 0 C--N 1.326 -0.655 0 C-N-CA 124.309 3.339 . . . . 0.0 109.892 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.444 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.1 p -132.66 174.21 10.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.385 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.3 p -145.01 157.23 44.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.409 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.07 148.8 30.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.7 m -77.94 132.37 37.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.334 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 1.195 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -85.72 122.17 29.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 108.277 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.6 t -102.24 116.39 32.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.033 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 78.62 -12.1 23.19 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.52 1.138 . . . . 0.0 110.988 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.475 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 11.8 mt-10 -103.56 156.61 17.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 0.749 . . . . 0.0 110.321 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.429 ' C ' ' CD2' ' A' ' 1' ' ' LEU . 4.4 p -135.58 15.74 3.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.408 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.484 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 24.9 m-80 -134.65 154.48 51.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.484 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 41.1 m -116.84 137.97 51.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 108.267 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.649 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 14.1 p90 -116.72 152.96 33.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 111.038 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.535 ' HE2' ' CE3' ' A' ' 27' ' ' TRP . 24.5 tttt -139.1 117.42 11.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.568 ' HD3' ' CZ3' ' A' ' 28' ' ' TRP . 2.5 ttmp? -108.96 141.65 40.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.118 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.582 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 27.5 p90 -158.66 144.94 17.02 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.62 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 29.2 p90 -161.43 171.08 18.81 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.5 t -103.25 152.66 21.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.034 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -145.44 166.99 24.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 18.5 t-160 -67.08 -11.16 56.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.585 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -102.48 -28.33 12.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.19 -174.96 33.31 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.2 m -83.1 115.19 21.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 0.751 . . . . 0.0 110.436 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.62 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 13.5 mt -91.3 134.33 30.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.466 HG23 ' CZ ' ' A' ' 38' ' ' ARG . 6.6 mt -131.28 127.07 59.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.127 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -132.73 114.92 14.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.466 ' CZ ' HG23 ' A' ' 36' ' ' ILE . 7.7 mtt85 -116.38 160.83 19.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.259 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.649 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -176.5 -177.16 45.26 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.538 1.149 . . . . 0.0 111.005 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.453 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 18.5 m -85.13 151.81 23.85 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.402 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 95.46 -166.8 25.62 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.504 1.127 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.408 ' HA ' ' HB3' ' A' ' 24' ' ' TYR . 36.3 t -145.19 73.68 14.4 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.517 ' HD2' ' CB ' ' A' ' 24' ' ' TYR . 61.6 Cg_endo -69.84 -179.09 2.7 Favored 'Trans proline' 0 C--N 1.325 -0.677 0 C-N-CA 124.183 3.256 . . . . 0.0 110.849 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.8 pttp -114.45 141.06 48.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.452 ' CG1' ' HE3' ' A' ' 26' ' ' LYS . 16.7 m -113.61 162.56 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.459 ' HB3' ' CD ' ' A' ' 47' ' ' PRO . 22.2 mtmm -85.58 170.19 13.77 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.459 ' CD ' ' HB3' ' A' ' 46' ' ' LYS . 51.6 Cg_exo -58.9 133.4 53.44 Favored 'Trans proline' 0 C--N 1.325 -0.693 0 C-N-CA 124.332 3.355 . . . . 0.0 109.9 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.34 -35.22 5.11 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.478 1.111 . . . . 0.0 110.973 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.6 t -81.68 147.0 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 109.329 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.582 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 52.8 m-80 -100.7 144.69 29.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.355 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.424 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 36.8 tp -143.86 140.19 29.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.426 ' O ' ' HA ' ' A' ' 24' ' ' TYR . 6.3 t30 -138.73 119.51 14.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 63.7 m -110.63 144.68 39.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 108.296 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.2 p -152.57 164.7 37.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 108.321 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.484 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 23.7 mtp85 -111.73 46.06 1.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.554 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.2 p -134.86 143.57 47.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.384 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.408 ' OD1' HD13 ' A' ' 1' ' ' LEU . 0.9 OUTLIER -62.49 142.32 57.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.1 mtt180 42.75 34.87 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.554 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 15.8 p -86.31 -22.83 26.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 108.303 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.484 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 22.5 p-10 -95.55 49.48 1.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.0 p30 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 116.983 -1.484 . . . . 0.0 109.275 -179.972 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 13.5 tp . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.433 ' CD ' ' N ' ' A' ' 2' ' ' GLU . 4.6 mp0 -109.93 146.2 35.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 1.181 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 10.0 m -137.36 137.25 38.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 108.322 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.486 ' CD2' ' HB3' ' A' ' 61' ' ' ASN . 36.7 m-70 -62.33 144.04 56.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.536 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.447 ' C ' ' OD1' ' A' ' 5' ' ' ASN . 4.2 p30 -127.1 9.13 6.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.416 ' CD ' ' HA ' ' A' ' 12' ' ' PRO . 2.0 pt20 -65.69 143.91 57.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 110.296 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.479 ' CG ' ' O ' ' A' ' 36' ' ' ILE . 24.8 tt0 -106.71 154.85 20.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.46 ' C ' ' O ' ' A' ' 7' ' ' GLN . 5.2 m 34.57 -133.71 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.566 1.166 . . . . 0.0 109.966 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 10' ' ' GLN . 38.8 m -89.18 -2.67 58.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.013 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.556 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 3.1 mm100 -44.15 169.23 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.556 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.8 Cg_exo -58.94 126.81 22.19 Favored 'Trans proline' 0 C--N 1.324 -0.723 0 C-N-CA 124.39 3.393 . . . . 0.0 109.841 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.416 ' HA ' ' CD ' ' A' ' 6' ' ' GLN . 51.6 Cg_exo -58.84 126.89 22.47 Favored 'Trans proline' 0 C--N 1.326 -0.656 0 C-N-CA 124.358 3.372 . . . . 0.0 109.842 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.449 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.1 p -132.62 175.01 9.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.375 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -144.71 156.91 44.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 110.431 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.0 ttpt -146.65 149.01 32.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.6 m -77.49 129.74 36.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.442 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 1.181 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -83.45 122.04 27.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 108.263 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.9 t -102.93 116.58 32.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.965 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.85 -10.66 24.37 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.538 1.149 . . . . 0.0 110.959 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.492 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 9.6 mt-10 -103.5 156.25 17.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 0.732 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.3 p -135.27 15.62 3.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.391 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.496 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 23.0 m-80 -135.47 155.09 51.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.338 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.476 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 52.9 m -117.67 138.05 52.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 108.293 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.663 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 13.7 p90 -116.71 149.69 39.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.573 ' HE3' ' CE3' ' A' ' 27' ' ' TRP . 26.0 tttp -134.08 117.42 16.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.577 ' HD2' ' CZ3' ' A' ' 28' ' ' TRP . 2.3 ttmm -108.6 142.04 39.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.607 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 22.5 p90 -160.84 144.05 13.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 108.02 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.613 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 26.5 p90 -160.62 171.01 19.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 108.018 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.2 t -103.54 152.64 21.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.992 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.403 ' OD1' ' CD1' ' A' ' 28' ' ' TRP . 0.8 OUTLIER -145.79 167.05 24.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -67.27 -10.79 54.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.56 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 54.8 mmm-85 -102.47 -28.23 12.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.31 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 154.9 -174.95 33.1 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.2 m -83.47 114.13 21.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 0.76 . . . . 0.0 110.406 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.613 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 14.8 mt -90.86 134.12 30.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.479 ' O ' ' CG ' ' A' ' 7' ' ' GLN . 8.6 mt -128.88 126.9 65.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -130.78 114.53 15.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.32 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.489 ' CZ ' ' OXT' ' A' ' 61' ' ' ASN . 12.6 mtt85 -116.26 160.71 20.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.331 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.663 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -177.07 -179.26 47.36 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.468 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 19.0 m -85.02 151.52 24.11 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.408 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 95.33 -167.21 26.04 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.453 1.096 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 36.1 t -144.57 73.89 15.35 Favored Pre-proline 0 C--N 1.325 -0.467 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.485 ' HD2' ' CB ' ' A' ' 24' ' ' TYR . 62.2 Cg_endo -69.78 179.97 3.34 Favored 'Trans proline' 0 C--N 1.325 -0.7 0 C-N-CA 124.204 3.269 . . . . 0.0 110.83 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.406 ' NZ ' ' HB2' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -112.39 140.29 47.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.3 m -114.48 162.05 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.46 ' HB3' ' CD ' ' A' ' 47' ' ' PRO . 19.6 mtmm -86.54 170.13 13.29 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.081 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.46 ' CD ' ' HB3' ' A' ' 46' ' ' LYS . 51.8 Cg_exo -58.91 134.53 60.8 Favored 'Trans proline' 0 C--N 1.326 -0.657 0 C-N-CA 124.326 3.351 . . . . 0.0 109.89 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.13 -35.31 5.04 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.434 1.084 . . . . 0.0 111.046 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.44 HG12 ' CG ' ' A' ' 26' ' ' LYS . 2.5 t -82.38 145.76 8.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.45 0.735 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.607 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 51.8 m-80 -100.31 142.46 31.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.433 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 43.1 tp -142.06 140.61 32.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.418 ' O ' ' HA ' ' A' ' 24' ' ' TYR . 2.0 t-20 -138.69 118.04 12.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.441 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 62.9 m -108.98 144.74 36.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 108.321 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 p -153.7 163.94 39.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 108.31 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.496 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 14.8 mtm-85 -111.86 45.9 1.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.566 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -132.68 144.22 50.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 0.0 110.386 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -61.22 140.16 57.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.403 ' HB3' ' CD2' ' A' ' 4' ' ' HIS . 13.8 mtt180 41.39 38.19 0.78 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.566 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 17.8 p -86.95 -22.58 25.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 108.284 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.476 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 20.6 p-10 -95.41 48.65 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.489 ' OXT' ' CZ ' ' A' ' 38' ' ' ARG . 20.2 p-10 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 117.005 -1.474 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 15.1 tp . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -109.03 145.31 35.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 1.124 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 9.3 m -136.75 136.87 39.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 108.302 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.573 ' CD2' ' HB2' ' A' ' 61' ' ' ASN . 31.4 m-70 -61.9 150.01 38.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.564 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.445 ' OD1' ' O ' ' A' ' 5' ' ' ASN . 7.7 p30 -135.31 16.91 3.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -63.18 142.12 58.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.554 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 0.1 OUTLIER -107.75 132.98 52.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.117 . . . . 0.0 110.297 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.6 m 47.77 -135.18 1.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.6 m -88.03 8.88 24.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.022 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.62 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 8.8 mm100 -58.98 170.14 0.94 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.62 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.8 Cg_exo -58.89 127.68 25.24 Favored 'Trans proline' 0 C--N 1.325 -0.692 0 C-N-CA 124.351 3.368 . . . . 0.0 109.889 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -58.92 125.37 18.0 Favored 'Trans proline' 0 C--N 1.325 -0.683 0 C-N-CA 124.326 3.351 . . . . 0.0 109.844 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.436 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.0 p -131.08 174.26 10.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.413 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -143.49 156.79 44.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.42 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -145.44 149.01 33.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.7 m -77.37 133.72 38.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.4 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 1.124 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.8 m -87.34 121.86 30.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 108.34 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.7 t -103.17 116.4 32.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.967 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.06 -9.63 24.42 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.455 1.097 . . . . 0.0 110.972 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.496 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 15.2 mt-10 -103.65 157.47 17.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 0.778 . . . . 0.0 110.277 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.5 p -136.55 15.51 3.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 110.38 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.498 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 23.7 m-80 -134.73 155.24 50.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.486 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 57.5 m -117.55 138.66 51.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 108.354 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.673 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 12.6 p90 -117.97 149.67 40.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.575 ' HE3' ' CZ3' ' A' ' 27' ' ' TRP . 15.1 ttpt -134.85 117.95 16.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.52 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 2.3 ttmp? -109.11 142.27 40.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.595 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 23.3 p90 -159.99 145.15 15.13 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.629 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 37.0 p90 -161.11 170.88 19.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 107.991 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.3 t -104.98 152.67 22.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.99 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.482 ' OD1' ' CD1' ' A' ' 28' ' ' TRP . 0.8 OUTLIER -146.17 167.0 24.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -67.33 -10.41 50.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.636 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -102.46 -28.37 12.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.3 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 154.87 -174.94 33.08 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.9 m -84.8 116.57 23.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 0.734 . . . . 0.0 110.366 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.629 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 13.5 mt -92.61 135.84 26.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 8.0 mt -129.84 123.83 57.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -127.82 114.56 17.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.461 ' NH1' ' C ' ' A' ' 61' ' ' ASN . 37.7 mtt-85 -118.05 160.95 20.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.673 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -177.31 -179.31 47.54 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.535 1.147 . . . . 0.0 111.026 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.414 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 18.7 m -84.13 151.1 25.1 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.26 -166.39 25.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.11 . . . . 0.0 110.973 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.402 ' HA ' ' HB3' ' A' ' 24' ' ' TYR . 36.8 t -144.24 73.79 15.96 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.511 ' HD2' ' CB ' ' A' ' 24' ' ' TYR . 61.5 Cg_endo -69.82 -179.35 2.88 Favored 'Trans proline' 0 C--N 1.326 -0.658 0 C-N-CA 124.219 3.279 . . . . 0.0 110.838 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.1 tttp -114.24 140.8 48.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.356 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.473 HG13 ' CE ' ' A' ' 26' ' ' LYS . 16.7 m -114.03 162.99 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.454 ' HB3' ' CD ' ' A' ' 47' ' ' PRO . 13.2 mtmt -85.82 169.92 14.34 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.454 ' CD ' ' HB3' ' A' ' 46' ' ' LYS . 51.7 Cg_exo -58.89 134.02 57.5 Favored 'Trans proline' 0 C--N 1.325 -0.707 0 C-N-CA 124.402 3.401 . . . . 0.0 109.838 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.27 -35.3 5.05 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.577 1.173 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.432 HG11 ' CG ' ' A' ' 26' ' ' LYS . 2.5 t -82.16 145.85 8.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 0.792 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.595 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 51.6 m-80 -99.66 143.92 29.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.429 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 39.2 tp -144.32 139.72 28.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.431 ' O ' ' HA ' ' A' ' 24' ' ' TYR . 26.8 t-20 -138.69 120.93 15.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.441 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 60.7 m -109.79 145.72 36.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 108.337 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 p -153.79 163.4 40.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 108.328 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.498 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 44.5 mtm180 -112.02 46.04 1.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.564 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -132.92 144.18 49.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.163 . . . . 0.0 110.408 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -61.38 140.03 58.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.9 mtt85 41.43 38.25 0.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.332 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.564 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 18.8 p -86.59 -21.36 26.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.163 . . . . 0.0 108.268 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.486 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 24.7 p-10 -94.71 44.8 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.573 ' HB2' ' CD2' ' A' ' 4' ' ' HIS . 10.1 t-20 . . . . . 0 C--O 1.25 1.127 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.248 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 13.3 tp . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -108.8 145.17 35.64 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 1.139 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 11.7 m -137.69 137.29 38.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 108.268 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.476 ' HA ' ' O ' ' A' ' 13' ' ' THR . 38.7 m-70 -62.64 135.39 57.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.642 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.428 ' C ' ' OD1' ' A' ' 5' ' ' ASN . 6.2 p30 -116.24 13.72 15.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.468 ' O ' ' NH1' ' A' ' 38' ' ' ARG . 3.2 pt20 -74.92 131.96 41.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.404 ' O ' ' HG2' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -108.5 154.38 22.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.316 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.7 m 54.54 -133.26 1.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.02 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.407 ' O ' ' O ' ' A' ' 10' ' ' GLN . 3.5 m -102.76 -2.07 28.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.003 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.591 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 38.0 mm-40 -44.61 169.6 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.591 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.7 Cg_exo -58.88 135.52 67.39 Favored 'Trans proline' 0 C--N 1.325 -0.683 0 C-N-CA 124.364 3.376 . . . . 0.0 109.855 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.8 Cg_exo -58.91 127.15 23.29 Favored 'Trans proline' 0 C--N 1.325 -0.703 0 C-N-CA 124.342 3.362 . . . . 0.0 109.87 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.476 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.0 p -132.59 173.42 11.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.41 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 p -145.39 158.23 43.87 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.547 1.154 . . . . 0.0 110.462 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.0 tptt -149.54 148.5 29.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.4 m -77.98 128.76 34.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.399 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 1.139 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -81.97 122.09 27.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 108.283 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 34.1 p -102.78 116.52 32.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 109.932 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.32 -10.31 22.6 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.508 1.13 . . . . 0.0 111.058 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.492 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 15.3 mt-10 -103.7 159.18 15.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 0.743 . . . . 0.0 110.278 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.0 p -138.33 15.68 2.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.381 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.501 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 23.0 m-80 -134.81 155.68 50.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.472 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 43.4 m -117.39 136.55 53.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 108.292 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.652 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 13.9 p90 -116.07 153.48 31.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.428 1.08 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.491 ' HG3' ' CD ' ' A' ' 38' ' ' ARG . 0.1 OUTLIER -140.88 117.5 10.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.539 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -109.35 143.53 38.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.24 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.587 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 25.0 p90 -160.28 144.58 14.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 108.024 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.62 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 30.0 p90 -159.62 170.58 21.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 108.021 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 61.1 m -105.14 151.74 23.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.965 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -145.61 166.5 25.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 21.1 t-160 -67.57 -9.88 46.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.585 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -102.58 -28.33 12.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 154.85 -174.9 33.07 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.8 m -86.13 116.03 24.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 0.763 . . . . 0.0 110.375 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.62 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 17.1 mt -93.08 134.86 29.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.46 HG21 ' CZ ' ' A' ' 38' ' ' ARG . 6.1 mt -129.92 127.84 64.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -131.3 113.31 13.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.326 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.491 ' CD ' ' HG3' ' A' ' 25' ' ' LYS . 20.2 mtt85 -118.02 160.32 21.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.652 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -178.12 -175.92 45.66 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.476 1.11 . . . . 0.0 111.025 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.417 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 19.8 m -85.25 151.91 23.71 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.405 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 95.64 -166.68 25.32 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.411 ' HA ' ' HB3' ' A' ' 24' ' ' TYR . 38.1 t -146.12 74.47 13.08 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.515 ' HD2' ' CB ' ' A' ' 24' ' ' TYR . 61.4 Cg_endo -69.88 -179.48 3.0 Favored 'Trans proline' 0 C--N 1.326 -0.655 0 C-N-CA 124.181 3.254 . . . . 0.0 110.809 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.8 mtpp -113.77 140.39 48.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.464 HG12 ' CD2' ' A' ' 51' ' ' LEU . 13.8 m -113.92 162.17 12.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.453 ' HB3' ' CD ' ' A' ' 47' ' ' PRO . 13.5 mtpt -85.95 170.05 13.92 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.453 ' CD ' ' HB3' ' A' ' 46' ' ' LYS . 52.0 Cg_exo -58.91 133.95 56.99 Favored 'Trans proline' 0 C--N 1.325 -0.664 0 C-N-CA 124.34 3.36 . . . . 0.0 109.861 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.17 -35.37 4.99 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.547 1.154 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.6 t -81.54 147.05 6.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.481 0.754 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.587 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 53.0 m-80 -100.74 143.75 30.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.464 ' CD2' HG12 ' A' ' 45' ' ' VAL . 24.1 tp -144.27 140.23 29.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.43 ' O ' ' HA ' ' A' ' 24' ' ' TYR . 0.5 OUTLIER -138.96 121.16 15.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.452 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 62.8 m -111.7 145.08 39.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 108.264 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.5 p -151.98 162.98 40.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 108.289 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.501 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 52.6 mtm180 -112.41 46.25 1.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.272 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.557 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -133.37 144.44 49.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.37 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -61.24 140.01 58.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.33 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.434 ' O ' ' ND2' ' A' ' 61' ' ' ASN . 19.8 mtt85 41.02 38.57 0.71 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.321 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.557 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 20.2 p -86.11 -23.43 26.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 108.301 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.473 ' O ' ' CD ' ' A' ' 38' ' ' ARG . 25.7 p-10 -95.45 48.55 1.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.457 ' O ' ' CZ ' ' A' ' 38' ' ' ARG . 15.4 m-80 . . . . . 0 C--O 1.25 1.094 0 CA-C-O 116.966 -1.493 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 12.7 tp . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -112.54 145.77 39.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 1.036 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 16.3 m -137.24 137.32 38.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 108.297 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.481 ' HA ' ' O ' ' A' ' 13' ' ' THR . 32.7 m-70 -60.45 141.9 55.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.575 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.438 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 4.0 p-10 -124.98 15.12 8.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.41 ' NE2' ' HA ' ' A' ' 12' ' ' PRO . 2.9 pt20 -73.8 144.46 45.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.506 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 30.6 tt0 -106.66 149.4 27.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 7' ' ' GLN . 3.2 m 38.53 -136.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.991 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 61.3 m -86.47 9.44 18.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.975 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.592 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 28.0 mm-40 -53.82 169.53 0.34 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 110.323 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.592 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.6 Cg_exo -58.91 127.08 23.04 Favored 'Trans proline' 0 C--N 1.325 -0.698 0 C-N-CA 124.298 3.332 . . . . 0.0 109.926 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.41 ' HA ' ' NE2' ' A' ' 6' ' ' GLN . 51.9 Cg_exo -58.88 120.57 8.52 Favored 'Trans proline' 0 C--N 1.325 -0.685 0 C-N-CA 124.325 3.35 . . . . 0.0 109.877 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.481 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.1 p -131.53 174.81 9.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.4 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -145.24 157.94 43.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.383 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 56.0 tttt -147.27 149.18 32.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.8 m -77.34 129.8 36.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.419 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 1.036 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -82.36 122.22 27.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 108.334 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.0 p -102.54 116.2 32.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 109.969 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.89 -10.7 24.48 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.499 1.125 . . . . 0.0 111.043 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.494 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 6.7 mt-10 -103.58 160.52 14.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 0.759 . . . . 0.0 110.281 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.7 p -139.72 15.65 2.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.368 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.502 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 23.1 m-80 -135.11 155.9 49.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.492 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 33.7 m -117.17 136.81 52.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 108.304 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.579 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 12.4 p90 -117.25 152.25 35.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 111.028 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.426 ' NZ ' ' HB3' ' A' ' 25' ' ' LYS . 3.8 ttpm? -143.97 115.9 8.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.548 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -110.15 143.22 40.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.489 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 35.0 p90 -154.32 147.4 24.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 108.006 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.61 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 28.4 p90 -159.32 169.68 23.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 108.022 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.7 p -105.42 137.99 42.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.002 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.534 ' OD1' ' CD1' ' A' ' 28' ' ' TRP . 0.9 OUTLIER -129.34 165.5 21.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 -66.25 -10.64 44.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.585 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 62.4 mtm180 -102.38 -28.32 12.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.143 . . . . 0.0 110.279 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 154.64 176.2 26.64 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.539 1.149 . . . . 0.0 110.946 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.1 m -75.7 116.48 16.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 0.768 . . . . 0.0 110.444 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.61 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 17.8 mt -93.81 136.91 24.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.484 ' O ' ' CG ' ' A' ' 7' ' ' GLN . 5.4 mt -134.95 129.2 50.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.482 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 7.8 tt0 -130.22 116.31 18.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.479 ' CZ ' ' O ' ' A' ' 61' ' ' ASN . 29.2 mtt-85 -113.4 152.68 29.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.579 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -172.77 -179.35 43.47 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.518 1.136 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.401 ' C ' ' OE1' ' A' ' 20' ' ' GLU . 22.3 m -86.22 153.31 22.11 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.41 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 96.17 -165.62 24.12 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.571 1.169 . . . . 0.0 111.02 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.425 ' HA ' ' HB3' ' A' ' 24' ' ' TYR . 38.0 t -148.0 73.88 11.13 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.545 ' HD2' ' CB ' ' A' ' 24' ' ' TYR . 61.6 Cg_endo -69.82 -178.93 2.6 Favored 'Trans proline' 0 C--N 1.325 -0.69 0 C-N-CA 124.16 3.24 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.0 tmtt? -114.89 140.86 48.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.25 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.0 m -113.76 163.47 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.436 ' HB3' ' CD ' ' A' ' 47' ' ' PRO . 24.4 mttt -85.35 169.31 16.45 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.252 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.436 ' CD ' ' HB3' ' A' ' 46' ' ' LYS . 51.7 Cg_exo -58.89 133.79 55.98 Favored 'Trans proline' 0 C--N 1.325 -0.671 0 C-N-CA 124.355 3.37 . . . . 0.0 109.885 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.12 -35.24 5.08 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.506 1.129 . . . . 0.0 110.997 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.8 t -81.6 146.05 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.537 0.786 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.548 ' O ' ' HA ' ' A' ' 26' ' ' LYS . 60.1 m-80 -98.61 147.25 25.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.5 tp -147.83 140.82 24.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.24 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.432 ' O ' ' HA ' ' A' ' 24' ' ' TYR . 1.3 t30 -138.99 122.81 17.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.46 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 68.7 m -113.39 142.64 45.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 108.275 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.5 p -150.71 163.14 39.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 108.275 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.502 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 38.5 mtm180 -111.95 45.66 1.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.565 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -132.03 144.17 50.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.132 . . . . 0.0 110.397 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -61.39 140.12 58.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.405 ' O ' ' ND2' ' A' ' 61' ' ' ASN . 15.5 mtt180 41.62 38.0 0.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.565 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 17.7 p -86.91 -22.98 25.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 108.296 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.492 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 24.7 p-10 -95.29 47.78 1.14 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.479 ' O ' ' CZ ' ' A' ' 38' ' ' ARG . 1.8 m120 . . . . . 0 C--O 1.25 1.084 0 CA-C-O 116.979 -1.486 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 13.0 tp . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -108.18 145.65 33.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 1.121 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 12.6 m -137.27 137.33 38.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 108.306 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.618 ' CD2' ' CB ' ' A' ' 61' ' ' ASN . 31.2 m-70 -63.23 134.9 56.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.564 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.436 ' OD1' ' C ' ' A' ' 5' ' ' ASN . 5.4 p30 -116.91 11.57 14.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.504 ' OE1' ' CZ ' ' A' ' 38' ' ' ARG . 0.2 OUTLIER -64.62 141.63 58.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.262 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.436 ' O ' ' HG2' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -106.62 156.88 18.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.248 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 7' ' ' GLN . 14.6 m 36.62 -128.67 0.14 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.004 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.9 p -97.22 1.22 49.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.99 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.568 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 36.9 mm-40 -44.42 168.26 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.256 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.568 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.8 Cg_exo -58.9 143.38 99.48 Favored 'Trans proline' 0 C--N 1.326 -0.63 0 C-N-CA 124.328 3.352 . . . . 0.0 109.865 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.7 Cg_exo -58.87 124.15 15.08 Favored 'Trans proline' 0 C--N 1.326 -0.648 0 C-N-CA 124.359 3.373 . . . . 0.0 109.881 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.493 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 1.9 p -131.1 169.33 16.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 110.404 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -146.17 158.31 43.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.368 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.43 ' HE3' ' CB ' ' A' ' 5' ' ' ASN . 8.8 ptpt -149.94 148.25 28.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.2 m -78.01 133.33 38.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 110.436 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 1.121 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.8 m -88.14 121.84 31.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 108.306 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.2 p -102.9 116.56 32.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.005 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.65 -10.13 25.85 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.502 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 7.0 mt-10 -103.52 160.16 14.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 0.762 . . . . 0.0 110.255 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.1 p -139.39 15.88 2.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.437 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.503 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 22.5 m-80 -134.72 154.94 51.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.346 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.487 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 53.0 m -117.03 137.17 52.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 108.323 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.662 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 12.2 p90 -117.2 153.31 33.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.473 ' HG2' ' CE3' ' A' ' 27' ' ' TRP . 13.3 ttpp -139.72 117.49 11.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.523 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 10.3 mtmt -109.41 140.9 42.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.582 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 28.1 p90 -158.61 144.45 16.76 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.578 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 36.5 p90 -161.39 170.97 19.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 108.017 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.1 p -103.18 153.29 20.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.975 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -146.64 166.78 25.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 42.2 m170 -67.22 -11.3 57.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.573 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.5 mmt-85 -102.58 -28.21 12.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.276 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.85 -174.88 33.79 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.5 m -84.9 112.87 20.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 0.787 . . . . 0.0 110.389 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.578 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 12.0 mt -88.48 131.49 35.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 8.6 mt -128.62 121.35 54.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 109.278 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -128.0 114.95 17.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.271 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.504 ' CZ ' ' OE1' ' A' ' 6' ' ' GLN . 11.8 mtt180 -121.79 160.65 24.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.313 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.662 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -175.89 -173.93 42.0 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.2 m -84.0 151.45 25.0 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.401 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 95.78 -166.04 24.81 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.528 1.142 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.419 ' HA ' ' HB3' ' A' ' 24' ' ' TYR . 37.3 t -145.95 74.03 13.38 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.524 ' HD2' ' CB ' ' A' ' 24' ' ' TYR . 61.5 Cg_endo -69.8 -179.52 2.99 Favored 'Trans proline' 0 C--N 1.325 -0.706 0 C-N-CA 124.225 3.283 . . . . 0.0 110.812 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -115.06 140.41 49.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.343 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.1 m -113.82 163.39 11.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.103 . . . . 0.0 109.335 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.453 ' HB3' ' CD ' ' A' ' 47' ' ' PRO . 3.5 mtmt -85.49 169.99 14.39 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.453 ' CD ' ' HB3' ' A' ' 46' ' ' LYS . 51.7 Cg_exo -58.85 133.77 55.96 Favored 'Trans proline' 0 C--N 1.325 -0.662 0 C-N-CA 124.346 3.364 . . . . 0.0 109.898 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.29 -35.13 5.17 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.535 1.147 . . . . 0.0 111.038 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.493 HG13 ' CE3' ' A' ' 28' ' ' TRP . 2.6 t -81.36 145.98 8.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.523 0.778 . . . . 0.0 109.336 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.582 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 52.5 m-80 -98.79 143.83 28.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.435 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 21.1 tp -144.43 138.96 28.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.433 ' O ' ' HA ' ' A' ' 24' ' ' TYR . 15.9 t-20 -138.39 120.78 15.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.459 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 65.0 m -111.56 145.48 39.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 108.305 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 p -152.86 163.19 40.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 108.345 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.503 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 14.1 mtm-85 -112.18 46.1 1.2 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.427 1.079 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.554 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -133.45 144.26 49.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.401 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -61.47 140.21 58.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 29.2 mtt85 41.25 38.59 0.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.554 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 19.9 p -86.38 -23.93 25.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 108.32 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.487 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 25.6 p-10 -94.31 42.97 1.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.618 ' CB ' ' CD2' ' A' ' 4' ' ' HIS . 1.6 p-10 . . . . . 0 C--O 1.251 1.132 0 CA-C-O 116.997 -1.478 . . . . 0.0 109.355 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 12.6 tp . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -108.12 145.03 34.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 1.087 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 16.0 m -137.16 136.94 38.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 108.299 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.631 ' CD2' ' CB ' ' A' ' 61' ' ' ASN . 30.7 m-70 -62.47 143.49 57.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.617 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.448 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 3.7 p-10 -126.4 16.27 7.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.461 ' OE1' ' NH1' ' A' ' 38' ' ' ARG . 2.6 pt20 -64.5 134.44 54.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.303 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.49 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 25.5 mm-40 -106.56 142.36 36.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.323 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.3 m 47.35 -135.48 0.97 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 110.035 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 m -94.86 20.41 8.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.998 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.605 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 33.5 mt-30 -68.15 169.74 9.33 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 110.324 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.605 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.9 Cg_exo -58.82 131.42 41.9 Favored 'Trans proline' 0 C--N 1.325 -0.702 0 C-N-CA 124.401 3.401 . . . . 0.0 109.872 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.422 ' HA ' ' NE2' ' A' ' 6' ' ' GLN . 51.7 Cg_exo -58.89 123.61 13.89 Favored 'Trans proline' 0 C--N 1.325 -0.696 0 C-N-CA 124.356 3.37 . . . . 0.0 109.876 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.448 ' CB ' ' OD1' ' A' ' 5' ' ' ASN . 2.1 p -131.82 174.53 10.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 110.396 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -143.09 157.69 44.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.401 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -147.67 149.41 32.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.6 m -77.08 136.44 38.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.163 . . . . 0.0 110.397 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 1.087 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 4.0 m -91.14 121.99 33.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 108.298 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.7 t -102.95 116.27 32.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.992 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 78.4 -11.03 26.31 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.139 . . . . 0.0 110.978 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.492 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 8.6 mt-10 -103.42 159.38 15.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 0.767 . . . . 0.0 110.263 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.1 p -139.15 15.97 2.62 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.502 1.126 . . . . 0.0 110.383 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.503 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 21.5 m-80 -134.76 154.87 51.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.482 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 38.7 m -117.02 136.44 52.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 108.306 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.69 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 13.4 p90 -115.53 152.1 33.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.574 1.171 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.544 ' HG2' ' CE3' ' A' ' 27' ' ' TRP . 25.9 ttpt -136.66 116.57 13.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.516 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 2.1 ttmm -109.66 140.57 43.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.605 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 25.5 p90 -160.45 143.15 13.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 107.985 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.593 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 37.5 p90 -158.74 170.78 21.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 108.012 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.0 t -105.09 154.18 20.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.994 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -147.96 166.44 27.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -67.38 -10.78 54.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.594 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? -102.51 -28.16 12.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 156.14 -174.85 34.0 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.1 m -88.14 114.16 24.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 0.787 . . . . 0.0 110.41 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.593 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 17.5 mt -89.57 134.14 29.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.407 ' O ' ' HA ' ' A' ' 7' ' ' GLN . 7.7 mt -128.09 121.32 55.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.403 ' O ' ' HB3' ' A' ' 26' ' ' LYS . 20.9 tt0 -129.09 113.58 15.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.267 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.528 ' NE ' ' CD ' ' A' ' 25' ' ' LYS . 61.3 mtt180 -126.84 160.36 31.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.69 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -174.76 -169.3 36.56 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.464 1.103 . . . . 0.0 110.966 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 22.7 m -84.4 150.8 25.09 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.74 -167.37 25.62 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.522 1.139 . . . . 0.0 111.049 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.403 ' HA ' ' HB3' ' A' ' 24' ' ' TYR . 37.2 t -145.81 75.19 13.27 Favored Pre-proline 0 C--N 1.325 -0.5 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.495 ' HD2' ' CB ' ' A' ' 24' ' ' TYR . 61.5 Cg_endo -69.86 179.76 3.53 Favored 'Trans proline' 0 C--N 1.326 -0.651 0 C-N-CA 124.182 3.255 . . . . 0.0 110.808 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -114.85 139.06 50.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.446 HG12 ' NZ ' ' A' ' 26' ' ' LYS . 18.5 m -114.72 164.0 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.474 ' HB3' ' CD ' ' A' ' 47' ' ' PRO . 20.3 mtmt -86.45 170.68 11.88 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.474 ' CD ' ' HB3' ' A' ' 46' ' ' LYS . 51.9 Cg_exo -58.94 134.61 61.2 Favored 'Trans proline' 0 C--N 1.324 -0.72 0 C-N-CA 124.379 3.386 . . . . 0.0 109.855 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.48 -35.35 5.03 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.5 t -80.81 144.82 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 0.764 . . . . 0.0 109.287 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.605 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 52.5 m-80 -98.63 139.18 34.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.437 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 22.2 tp -139.76 139.88 36.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.425 ' O ' ' HA ' ' A' ' 24' ' ' TYR . 5.0 t30 -138.72 117.61 12.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.468 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 70.0 m -110.32 145.06 38.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 108.305 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 p -153.04 163.36 39.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 108.27 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.503 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 40.6 mtt180 -112.35 46.18 1.2 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 110.331 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.552 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -133.7 144.27 49.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.415 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -61.37 140.05 58.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.272 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 41.18 38.91 0.82 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.552 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 20.4 p -86.48 -24.53 25.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 108.255 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.482 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 25.2 p-10 -94.37 43.23 1.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.128 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.631 ' CB ' ' CD2' ' A' ' 4' ' ' HIS . 2.3 p30 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 117.021 -1.466 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 12.5 tp . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -110.45 145.3 37.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.306 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 1.096 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 13.4 m -137.51 137.35 38.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 108.27 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.476 ' HA ' ' O ' ' A' ' 13' ' ' THR . 35.6 m-70 -61.82 136.56 58.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.621 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.435 ' C ' ' OD1' ' A' ' 5' ' ' ASN . 5.4 p30 -118.11 11.71 13.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 0.0 109.244 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.441 ' CD ' ' HA ' ' A' ' 12' ' ' PRO . 2.9 pt20 -72.49 142.6 48.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.578 1.174 . . . . 0.0 110.315 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.465 ' O ' ' C ' ' A' ' 8' ' ' SER . 2.4 pt20 -106.72 160.12 15.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.465 ' C ' ' O ' ' A' ' 7' ' ' GLN . 3.7 m 34.58 -135.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.989 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 10' ' ' GLN . 3.2 m -90.48 0.03 57.48 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.494 1.121 . . . . 0.0 109.991 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.57 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 38.6 mm-40 -44.26 169.2 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.57 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.6 Cg_exo -58.93 130.72 37.96 Favored 'Trans proline' 0 C--N 1.325 -0.68 0 C-N-CA 124.314 3.343 . . . . 0.0 109.89 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.441 ' HA ' ' CD ' ' A' ' 6' ' ' GLN . 51.9 Cg_exo -58.87 124.8 16.51 Favored 'Trans proline' 0 C--N 1.325 -0.677 0 C-N-CA 124.337 3.358 . . . . 0.0 109.867 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.476 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.0 p -132.79 174.09 10.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.414 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 p -145.31 158.37 43.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.4 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -149.3 148.64 29.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.4 m -77.9 129.16 35.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.391 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 1.096 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 4.0 m -81.03 122.04 26.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 108.287 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.51 116.12 31.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.974 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.43 -10.58 21.91 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.491 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 15.3 mt-10 -103.57 162.07 13.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 0.786 . . . . 0.0 110.328 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.8 p -140.95 15.58 2.28 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.488 1.117 . . . . 0.0 110.379 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.507 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 21.8 m-80 -135.06 156.25 49.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.484 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 36.4 m -117.01 136.61 52.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.163 . . . . 0.0 108.337 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.575 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 12.6 p90 -117.13 151.53 36.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.975 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.406 ' HB3' ' NZ ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -142.37 114.99 8.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.566 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 2.2 pttm -110.31 141.56 43.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.478 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 36.4 p90 -153.41 147.33 25.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 108.044 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.61 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 26.9 p90 -159.12 169.49 24.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 107.963 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.8 t -105.41 137.51 43.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -128.6 165.84 20.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 109.342 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 27.6 p-80 -66.53 -10.49 45.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.609 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.2 ttm180 -102.34 -28.36 12.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.558 1.161 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 154.67 176.17 26.63 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.7 m -75.06 116.45 15.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 0.742 . . . . 0.0 110.389 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.61 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 17.0 mt -94.72 134.26 32.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.447 HG23 ' NH1' ' A' ' 38' ' ' ARG . 5.8 mt -133.21 128.98 56.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.469 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 79.5 mm-40 -130.08 115.68 17.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.447 ' NH1' HG23 ' A' ' 36' ' ' ILE . 23.6 mtt85 -113.3 152.18 30.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.575 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -172.27 -179.19 42.98 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.524 1.14 . . . . 0.0 111.008 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.44 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 21.6 m -85.34 153.39 22.58 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.41 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 96.25 -166.13 24.27 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.483 1.115 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.429 ' HA ' ' HB3' ' A' ' 24' ' ' TYR . 39.0 t -147.96 74.07 11.14 Favored Pre-proline 0 C--N 1.326 -0.451 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.544 ' HD2' ' CB ' ' A' ' 24' ' ' TYR . 61.6 Cg_endo -69.83 -179.19 2.77 Favored 'Trans proline' 0 C--N 1.325 -0.672 0 C-N-CA 124.199 3.266 . . . . 0.0 110.851 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.3 mptt -114.59 140.45 48.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.7 m -113.75 163.45 10.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.437 ' HB3' ' CD ' ' A' ' 47' ' ' PRO . 8.6 mtpp -85.47 169.47 15.9 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.437 ' CD ' ' HB3' ' A' ' 46' ' ' LYS . 51.7 Cg_exo -58.89 133.72 55.56 Favored 'Trans proline' 0 C--N 1.325 -0.707 0 C-N-CA 124.377 3.384 . . . . 0.0 109.932 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.19 -35.26 5.07 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.8 t -81.19 145.6 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.46 0.741 . . . . 0.0 109.283 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.566 ' O ' ' HA ' ' A' ' 26' ' ' LYS . 61.1 m-80 -98.14 146.44 25.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.2 tp -147.21 140.31 25.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.421 ' O ' ' HA ' ' A' ' 24' ' ' TYR . 10.7 t30 -138.68 121.75 16.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.347 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.467 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 75.9 m -113.06 143.16 44.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 108.299 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.5 p -150.85 163.26 39.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 108.328 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.507 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 15.5 mtm-85 -112.27 45.92 1.23 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.56 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -133.0 144.34 50.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 110.402 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -61.36 140.26 58.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.567 1.167 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.7 mtt85 41.31 38.11 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.56 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 19.1 p -86.4 -23.42 26.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 108.331 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.484 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 25.5 p-10 -95.26 47.96 1.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.5 p30 . . . . . 0 C--O 1.25 1.092 0 CA-C-O 117.01 -1.471 . . . . 0.0 109.326 179.981 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . 0.417 ' CD2' ' C ' ' A' ' 21' ' ' THR . 14.9 tp . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -108.39 144.61 35.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.334 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 1.091 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 13.9 m -137.18 137.06 38.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 108.283 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.509 ' CG ' ' HA ' ' A' ' 61' ' ' ASN . 31.7 m-70 -63.04 145.18 56.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.616 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.452 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 4.0 p-10 -127.46 16.6 7.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.133 . . . . 0.0 109.362 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.419 ' NE2' ' HA ' ' A' ' 12' ' ' PRO . 2.4 pt20 -64.2 135.42 56.27 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.506 1.129 . . . . 0.0 110.316 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.554 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 33.8 tt0 -106.56 141.73 37.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.26 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.7 m 45.92 -134.94 0.82 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 110.003 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.6 p -93.94 20.64 7.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 109.978 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.591 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 6.0 mm100 -68.61 169.72 10.06 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 110.262 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.591 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.5 Cg_exo -58.91 130.79 38.34 Favored 'Trans proline' 0 C--N 1.325 -0.694 0 C-N-CA 124.332 3.355 . . . . 0.0 109.878 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.419 ' HA ' ' NE2' ' A' ' 6' ' ' GLN . 51.9 Cg_exo -58.85 123.23 13.07 Favored 'Trans proline' 0 C--N 1.325 -0.705 0 C-N-CA 124.386 3.391 . . . . 0.0 109.848 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.452 ' CB ' ' OD1' ' A' ' 5' ' ' ASN . 2.1 p -131.66 174.38 10.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.084 . . . . 0.0 110.415 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -143.62 157.19 44.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.38 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -146.95 149.43 33.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.6 m -76.98 134.06 38.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.362 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 1.091 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -88.15 122.11 31.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 108.265 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.1 m -103.02 116.45 32.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.991 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.56 -10.33 24.12 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.501 1.126 . . . . 0.0 110.972 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.494 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 9.2 mt-10 -103.55 158.8 16.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 0.764 . . . . 0.0 110.266 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.417 ' C ' ' CD2' ' A' ' 1' ' ' LEU . 7.3 p -138.64 15.96 2.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.395 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.5 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 22.7 m-80 -134.99 155.15 51.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.476 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 38.7 m -117.23 136.72 52.87 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 108.316 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.669 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 13.5 p90 -116.14 152.88 32.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.112 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.541 ' CE ' ' NH1' ' A' ' 38' ' ' ARG . 29.3 tttm -138.9 116.73 11.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.54 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 11.7 ttmt -109.48 142.24 40.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.588 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 24.0 p90 -159.98 144.96 15.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 108.015 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.618 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 39.3 p90 -160.93 170.98 19.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 107.992 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 t -105.05 153.01 22.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.991 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.445 ' OD1' ' CD1' ' A' ' 28' ' ' TRP . 1.4 m-20 -146.94 166.65 26.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -67.4 -10.55 52.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.584 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -102.44 -28.22 12.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.274 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.39 -174.94 33.46 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.1 m -86.33 114.63 23.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 0.782 . . . . 0.0 110.372 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.618 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 13.6 mt -90.19 134.76 28.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.418 HG21 ' NH2' ' A' ' 38' ' ' ARG . 7.8 mt -129.45 121.21 52.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -126.48 113.79 17.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.266 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.541 ' NH1' ' CE ' ' A' ' 25' ' ' LYS . 8.4 mtt180 -124.07 160.36 27.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 110.309 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.669 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -177.35 -172.95 42.42 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.121 . . . . 0.0 111.023 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 21.8 m -83.83 151.2 25.28 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.403 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 95.44 -167.43 26.06 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.484 1.115 . . . . 0.0 110.979 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.411 ' HA ' ' HB3' ' A' ' 24' ' ' TYR . 38.3 t -145.06 74.44 14.38 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.503 ' HD2' ' CB ' ' A' ' 24' ' ' TYR . 61.9 Cg_endo -69.82 -179.59 3.04 Favored 'Trans proline' 0 C--N 1.325 -0.697 0 C-N-CA 124.243 3.295 . . . . 0.0 110.804 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -114.69 140.26 49.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.462 HG11 ' CE ' ' A' ' 26' ' ' LYS . 16.8 m -114.09 163.32 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.454 ' HB3' ' CD ' ' A' ' 47' ' ' PRO . 7.1 mtmm -85.76 170.06 14.03 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.454 ' CD ' ' HB3' ' A' ' 46' ' ' LYS . 51.6 Cg_exo -58.85 134.12 58.24 Favored 'Trans proline' 0 C--N 1.326 -0.64 0 C-N-CA 124.329 3.353 . . . . 0.0 109.865 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.13 -35.33 5.02 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.466 HG11 ' CE3' ' A' ' 28' ' ' TRP . 2.6 t -81.26 145.77 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.76 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.588 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 52.5 m-80 -98.93 143.16 29.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.431 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 28.6 tp -144.12 139.49 28.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.436 ' O ' ' HA ' ' A' ' 24' ' ' TYR . 11.8 t-20 -139.11 121.26 15.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.453 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 62.6 m -111.02 146.18 37.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 108.307 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.6 p -152.75 162.32 41.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 108.307 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.5 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 22.7 mtp85 -112.36 46.27 1.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 110.303 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.549 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -133.22 144.35 49.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.386 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -61.34 139.21 58.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.453 ' O ' ' ND2' ' A' ' 61' ' ' ASN . 16.5 mtt85 41.48 39.82 1.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.33 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.549 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 21.7 p -87.01 -24.43 24.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 108.262 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.476 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 24.5 p-10 -95.1 46.54 1.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.338 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.509 ' HA ' ' CG ' ' A' ' 4' ' ' HIS . 1.6 m120 . . . . . 0 C--O 1.25 1.092 0 CA-C-O 117.022 -1.466 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . 0.406 ' CD2' ' C ' ' A' ' 21' ' ' THR . 13.0 tp . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -108.04 144.28 35.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 1.078 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 18.3 m -137.03 136.77 38.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 108.312 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.639 ' CD2' ' CB ' ' A' ' 61' ' ' ASN . 27.2 m-70 -61.18 150.4 34.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.59 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.427 ' OD1' ' O ' ' A' ' 5' ' ' ASN . 7.8 p30 -134.07 16.3 3.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.54 ' NE2' ' NH2' ' A' ' 38' ' ' ARG . 0.7 OUTLIER -64.27 135.93 56.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.153 . . . . 0.0 110.307 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.55 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 7.1 mp0 -106.36 141.31 37.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.9 m 44.79 -135.76 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.024 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.5 p -92.42 20.46 6.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.996 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.582 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 22.6 mm-40 -69.74 169.89 11.31 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.344 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.582 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 52.0 Cg_exo -58.96 128.58 28.41 Favored 'Trans proline' 0 C--N 1.325 -0.7 0 C-N-CA 124.359 3.373 . . . . 0.0 109.86 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.417 ' HA ' ' NE2' ' A' ' 6' ' ' GLN . 51.8 Cg_exo -58.9 124.03 14.81 Favored 'Trans proline' 0 C--N 1.325 -0.687 0 C-N-CA 124.358 3.372 . . . . 0.0 109.858 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.439 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.1 p -131.49 174.32 10.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.372 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -142.4 157.03 45.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.398 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -146.21 149.33 33.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.7 m -77.22 132.92 38.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.383 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 1.078 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -85.83 121.93 29.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 108.336 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.3 m -102.73 116.21 32.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 109.999 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 76.82 -10.12 20.37 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.472 1.108 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.479 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 13.1 mt-10 -103.76 159.45 15.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 0.757 . . . . 0.0 110.313 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.406 ' C ' ' CD2' ' A' ' 1' ' ' LEU . 7.3 p -138.9 16.14 2.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.371 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.505 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 21.7 m-80 -134.33 155.3 50.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.477 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 36.6 m -116.86 136.53 52.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 108.305 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.659 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 13.3 p90 -116.4 153.3 32.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.975 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.48 ' CD ' ' HD3' ' A' ' 38' ' ' ARG . 6.5 ttpm? -140.41 115.81 10.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.554 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 15.0 ttpt -109.87 142.13 41.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.583 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 28.5 p90 -159.2 144.22 15.78 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.577 ' CZ2' HG22 ' A' ' 35' ' ' ILE . 27.9 p90 -159.5 171.12 20.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 107.975 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 87.6 p -103.93 153.96 20.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.983 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -147.06 167.07 24.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.263 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.524 ' O ' ' CD2' ' A' ' 31' ' ' HIS . 9.7 t60 -67.63 -10.7 54.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 109.578 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 31.4 tpt180 -102.56 -28.28 12.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.6 -174.94 33.61 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.483 1.115 . . . . 0.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.8 m -85.24 113.75 21.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 0.785 . . . . 0.0 110.41 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.577 HG22 ' CZ2' ' A' ' 28' ' ' TRP . 10.1 mt -90.07 133.17 32.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.401 ' O ' ' HA ' ' A' ' 7' ' ' GLN . 6.5 mt -129.01 123.86 59.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.427 ' CA ' ' OE1' ' A' ' 37' ' ' GLU . 3.4 tp10 -129.85 113.94 15.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.54 ' NH2' ' NE2' ' A' ' 6' ' ' GLN . 11.6 mtm180 -123.22 160.34 26.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.27 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.659 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -176.61 -171.44 40.29 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.534 1.146 . . . . 0.0 110.953 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 21.2 m -84.66 151.6 24.35 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 96.18 -166.81 24.69 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.417 ' HA ' ' HB3' ' A' ' 24' ' ' TYR . 37.8 t -146.67 74.89 12.33 Favored Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.524 ' HD2' ' CB ' ' A' ' 24' ' ' TYR . 61.5 Cg_endo -69.8 -179.56 3.02 Favored 'Trans proline' 0 C--N 1.326 -0.639 0 C-N-CA 124.193 3.262 . . . . 0.0 110.829 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -114.5 139.85 49.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.5 m -113.88 162.87 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.44 ' HB3' ' CD ' ' A' ' 47' ' ' PRO . 25.2 mtmt -85.75 169.59 15.33 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.44 ' CD ' ' HB3' ' A' ' 46' ' ' LYS . 51.8 Cg_exo -58.84 134.05 57.81 Favored 'Trans proline' 0 C--N 1.325 -0.658 0 C-N-CA 124.359 3.372 . . . . 0.0 109.882 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.07 -35.29 5.05 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.129 . . . . 0.0 110.975 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.44 HG12 ' CD ' ' A' ' 26' ' ' LYS . 3.0 t -80.05 148.77 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 0.749 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.583 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 55.1 m-80 -101.15 142.65 32.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.446 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 27.4 tp -144.74 139.5 27.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.429 ' O ' ' HA ' ' A' ' 24' ' ' TYR . 16.5 t-20 -138.76 120.34 15.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.471 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 69.3 m -111.59 144.7 40.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 108.286 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.5 p -152.01 163.29 39.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 108.326 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.505 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 41.7 mtp180 -112.58 46.24 1.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.258 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.555 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -133.54 144.45 49.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.382 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -61.18 139.86 58.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.5 mtt180 40.93 38.91 0.73 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.555 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 20.7 p -86.0 -24.53 26.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 108.29 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.477 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 25.7 p-10 -94.0 41.85 1.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.639 ' CB ' ' CD2' ' A' ' 4' ' ' HIS . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.112 0 CA-C-O 116.99 -1.481 . . . . 0.0 109.259 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 13.3 tp . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -110.0 144.24 38.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.105 . . . . 0.0 110.279 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 1.142 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 10.1 m -137.56 137.55 38.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 108.27 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.542 ' CD2' ' CB ' ' A' ' 61' ' ' ASN . 29.7 m-70 -60.31 146.96 42.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.574 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.445 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 3.7 p-10 -130.94 15.38 5.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.525 ' NE2' ' NH2' ' A' ' 38' ' ' ARG . 4.6 pt20 -75.58 144.25 41.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 110.314 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.488 ' CG ' ' N ' ' A' ' 8' ' ' SER . 27.0 tt0 -106.28 159.1 16.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.265 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.488 ' N ' ' CG ' ' A' ' 7' ' ' GLN . 7.1 m 34.08 -131.5 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 110.042 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.3 m -93.56 -0.31 56.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.982 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.556 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 11.5 mt-30 -44.33 169.31 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.328 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.556 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.9 Cg_exo -58.9 126.13 20.24 Favored 'Trans proline' 0 C--N 1.325 -0.681 0 C-N-CA 124.351 3.367 . . . . 0.0 109.867 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.439 ' HA ' ' NE2' ' A' ' 6' ' ' GLN . 51.8 Cg_exo -58.86 126.2 20.47 Favored 'Trans proline' 0 C--N 1.325 -0.704 0 C-N-CA 124.363 3.375 . . . . 0.0 109.885 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.457 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.1 p -133.54 174.76 10.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.389 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 p -145.18 157.43 44.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.384 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.5 ptpt -148.09 149.27 31.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.338 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.9 m -77.22 126.92 31.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.38 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 1.142 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -79.62 122.22 26.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 108.312 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.4 t -102.43 116.56 32.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.977 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 78.88 -11.69 26.65 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.494 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 8.4 mt-10 -103.49 158.81 16.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 110.272 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.0 p -138.42 15.95 2.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 110.368 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.499 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 22.8 m-80 -135.12 155.05 51.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.447 ' O ' ' HA ' ' A' ' 53' ' ' CYS . 37.8 m -116.96 136.61 52.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 108.289 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.666 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 16.1 p90 -114.91 152.41 32.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.557 ' HG2' ' CE3' ' A' ' 27' ' ' TRP . 44.9 tttp -136.32 116.77 13.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.523 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 13.9 mtmm -109.8 140.76 43.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.6 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 24.5 p90 -160.54 144.13 13.65 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.627 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 34.1 p90 -159.87 171.14 19.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 107.982 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.9 t -104.63 154.01 20.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.979 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -147.49 166.58 26.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 37.9 m-70 -67.32 -10.6 52.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.57 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -102.55 -28.21 12.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.302 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.66 -174.93 33.65 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.529 1.143 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.2 m -85.7 113.04 21.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 0.758 . . . . 0.0 110.417 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.627 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 13.2 mt -88.69 131.95 34.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.424 ' O ' ' HA ' ' A' ' 7' ' ' GLN . 10.6 mt -126.38 123.31 63.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.443 ' OE2' ' NZ ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -132.55 114.29 14.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.525 ' NH2' ' NE2' ' A' ' 6' ' ' GLN . 12.2 mtm180 -126.64 160.61 30.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.666 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -173.22 -168.59 34.62 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.497 1.123 . . . . 0.0 111.014 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.0 m -85.41 151.33 24.07 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.403 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 95.45 -167.78 26.3 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.508 1.13 . . . . 0.0 110.966 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.414 ' HA ' ' HB3' ' A' ' 24' ' ' TYR . 36.7 t -145.25 74.18 14.21 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.5 ' HD2' ' CB ' ' A' ' 24' ' ' TYR . 61.5 Cg_endo -69.82 -179.62 3.07 Favored 'Trans proline' 0 C--N 1.325 -0.706 0 C-N-CA 124.197 3.265 . . . . 0.0 110.825 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -113.81 140.79 48.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.504 ' CG1' ' HD2' ' A' ' 26' ' ' LYS . 14.4 m -114.28 161.6 12.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.479 ' HB3' ' CD ' ' A' ' 47' ' ' PRO . 10.2 mtpp -86.28 171.13 10.89 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.479 ' CD ' ' HB3' ' A' ' 46' ' ' LYS . 51.8 Cg_exo -58.92 133.03 50.99 Favored 'Trans proline' 0 C--N 1.324 -0.726 0 C-N-CA 124.306 3.337 . . . . 0.0 109.86 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.73 -35.34 5.05 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.5 t -81.28 146.85 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.562 0.801 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.6 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 52.2 m-80 -101.49 140.93 35.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.466 ' CD2' HG12 ' A' ' 45' ' ' VAL . 19.8 tp -141.07 140.15 34.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.432 ' O ' ' HA ' ' A' ' 24' ' ' TYR . 1.5 t-20 -139.38 119.64 13.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.338 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.447 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 61.5 m -110.12 146.06 36.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 108.312 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.5 p -153.42 162.65 41.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 108.347 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.499 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 39.0 mtt-85 -112.08 45.92 1.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.56 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -132.57 144.41 50.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.406 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -61.12 139.35 58.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 40.83 39.47 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.257 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.56 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 21.2 p -86.11 -23.6 26.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 108.271 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.45 ' O ' ' NE ' ' A' ' 38' ' ' ARG . 28.1 p-10 -94.19 42.33 1.09 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.584 1.178 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.542 ' CB ' ' CD2' ' A' ' 4' ' ' HIS . 1.8 p-10 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 116.974 -1.489 . . . . 0.0 109.347 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 12.8 tp . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -110.46 145.08 38.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 110.289 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 1.132 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 12.1 m -137.39 137.23 38.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 108.364 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.477 ' HA ' ' O ' ' A' ' 13' ' ' THR . 36.6 m-70 -62.64 139.05 58.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.569 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.441 ' OD1' ' C ' ' A' ' 5' ' ' ASN . 4.4 p30 -120.22 9.41 11.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.45 ' O ' ' NH1' ' A' ' 38' ' ' ARG . 2.4 pt20 -67.32 141.94 56.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.452 ' O ' ' C ' ' A' ' 8' ' ' SER . 7.3 pt20 -106.66 157.43 17.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.267 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 7' ' ' GLN . 6.1 m 35.34 -133.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.997 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.3 m -91.32 -0.93 57.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.984 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.569 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 37.4 mm-40 -44.45 168.78 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.569 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.5 Cg_exo -58.82 129.33 31.63 Favored 'Trans proline' 0 C--N 1.325 -0.681 0 C-N-CA 124.362 3.375 . . . . 0.0 109.911 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.416 ' HA ' ' NE2' ' A' ' 6' ' ' GLN . 51.7 Cg_exo -58.88 125.25 17.67 Favored 'Trans proline' 0 C--N 1.325 -0.698 0 C-N-CA 124.351 3.367 . . . . 0.0 109.865 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.477 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.1 p -132.58 174.82 9.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.371 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -145.58 156.59 43.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.4 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.0 mmmt -147.15 148.84 31.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.583 1.177 . . . . 0.0 109.329 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.6 m -77.78 128.22 33.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.392 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 1.132 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -81.29 122.12 27.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 108.324 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.1 t -102.63 116.38 32.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.051 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 78.13 -10.7 26.13 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.493 1.121 . . . . 0.0 110.965 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.498 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 6.7 mt-10 -103.6 159.88 15.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 0.787 . . . . 0.0 110.307 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.1 p -139.12 15.96 2.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.412 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.504 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 21.0 m-80 -135.33 155.3 50.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.479 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 39.8 m -116.96 136.2 53.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 108.298 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.611 ' CE2' ' C ' ' A' ' 39' ' ' GLY . 16.8 p90 -115.44 153.86 30.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 111.013 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.505 ' NZ ' ' CE3' ' A' ' 27' ' ' TRP . 32.9 tttm -141.2 118.6 11.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.576 ' HE2' ' CD1' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -109.82 141.7 42.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.607 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 22.6 p90 -159.44 142.75 14.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 107.986 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.617 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 39.4 p90 -157.07 168.86 26.22 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.5 t -105.3 149.82 25.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 110.025 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -145.55 165.96 27.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 34.4 p-80 -68.0 -9.3 44.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.586 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -102.37 -28.19 12.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 154.96 -174.86 33.15 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.546 1.154 . . . . 0.0 110.967 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.0 m -89.84 113.59 25.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 0.766 . . . . 0.0 110.445 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.617 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 18.2 mt -89.89 133.64 31.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.468 HG22 ' CZ ' ' A' ' 38' ' ' ARG . 7.7 mt -129.92 123.69 57.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -128.34 114.61 17.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 110.272 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.494 ' CD ' ' HG3' ' A' ' 25' ' ' LYS . 15.1 mtt85 -118.35 160.61 21.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.257 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.611 ' C ' ' CE2' ' A' ' 24' ' ' TYR . . . -177.59 -174.26 43.79 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.404 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 21.0 m -86.71 151.72 23.16 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.405 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 95.94 -167.19 25.23 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.478 1.111 . . . . 0.0 111.024 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.437 ' HA ' ' HB3' ' A' ' 24' ' ' TYR . 39.6 t -146.61 74.67 12.44 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.499 ' HD2' ' CB ' ' A' ' 24' ' ' TYR . 61.9 Cg_endo -69.83 178.27 4.79 Favored 'Trans proline' 0 C--N 1.325 -0.666 0 C-N-CA 124.179 3.252 . . . . 0.0 110.831 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.73 142.44 44.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.553 HG12 ' CG ' ' A' ' 26' ' ' LYS . 14.5 m -118.29 163.71 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.361 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.471 ' HB3' ' CD ' ' A' ' 47' ' ' PRO . 26.7 mttp -87.05 170.49 12.03 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.471 ' CD ' ' HB3' ' A' ' 46' ' ' LYS . 51.8 Cg_exo -58.93 134.8 62.49 Favored 'Trans proline' 0 C--N 1.325 -0.671 0 C-N-CA 124.372 3.381 . . . . 0.0 109.848 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.42 -35.56 4.88 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.457 1.098 . . . . 0.0 111.013 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.5 t -81.2 144.09 11.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 0.75 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.607 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 52.3 m-80 -98.73 140.16 33.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.1 tp -138.52 141.64 39.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.428 ' O ' ' HA ' ' A' ' 24' ' ' TYR . 9.7 t30 -139.25 117.34 11.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.474 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 69.4 m -111.59 143.64 42.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.11 . . . . 0.0 108.271 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.5 p -151.94 163.24 39.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 108.264 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.504 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 39.7 mtt180 -112.32 45.83 1.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.328 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.557 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -132.8 144.39 50.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.408 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -61.39 139.87 58.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.2 mtt180 41.26 38.51 0.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.301 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.557 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 19.9 p -86.36 -23.67 26.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 108.304 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.479 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 25.7 p-10 -95.41 48.33 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.435 ' OD1' ' CE1' ' A' ' 4' ' ' HIS . 65.9 t30 . . . . . 0 C--O 1.25 1.128 0 CA-C-O 117.01 -1.472 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . 0.451 ' CD2' ' C ' ' A' ' 21' ' ' THR . 15.5 tp . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.449 ' OE1' ' NE ' ' A' ' 58' ' ' ARG . 10.7 tt0 -109.8 148.74 30.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.27 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 1.168 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 10.2 m -140.39 139.91 35.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 108.33 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.559 ' CD2' ' HB2' ' A' ' 61' ' ' ASN . 35.1 m-70 -65.62 136.56 56.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.566 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.447 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 4.2 p-10 -118.85 15.27 13.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.439 ' CD ' ' HA ' ' A' ' 12' ' ' PRO . 2.3 pt20 -75.58 140.84 42.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.27 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.461 ' O ' ' C ' ' A' ' 8' ' ' SER . 29.4 mt-30 -106.89 161.92 14.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.461 ' C ' ' O ' ' A' ' 7' ' ' GLN . 4.2 m 34.74 -134.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.05 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.1 p -93.16 -0.16 57.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.947 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.543 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 2.0 mm100 -44.48 169.07 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.543 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.8 Cg_exo -58.91 128.44 27.97 Favored 'Trans proline' 0 C--N 1.326 -0.648 0 C-N-CA 124.34 3.36 . . . . 0.0 109.856 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.439 ' HA ' ' CD ' ' A' ' 6' ' ' GLN . 51.6 Cg_exo -58.93 125.57 18.58 Favored 'Trans proline' 0 C--N 1.325 -0.675 0 C-N-CA 124.32 3.347 . . . . 0.0 109.882 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.448 ' O ' ' ND1' ' A' ' 4' ' ' HIS . 2.2 p -132.8 174.24 10.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.379 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.411 ' HB ' ' CD ' ' A' ' 2' ' ' GLU . 1.5 p -140.63 158.13 44.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.399 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.4 mtmt -149.42 148.4 29.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.2 m -78.07 135.27 37.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.451 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 1.168 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -89.15 122.01 32.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 108.278 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.0 p -102.57 116.44 32.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 110.033 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.52 -11.04 20.2 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.475 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 12.0 mt-10 -103.72 156.11 18.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 0.803 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.451 ' C ' ' CD2' ' A' ' 1' ' ' LEU . 4.6 p -135.1 15.73 3.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.387 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.481 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 24.7 m-80 -135.19 154.79 51.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.487 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 39.8 m -116.64 138.0 51.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 108.252 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.611 ' CE2' ' C ' ' A' ' 39' ' ' GLY . 18.7 p90 -117.0 152.96 33.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 111.028 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -139.25 119.04 13.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.276 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.5 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 5.3 mtpp -109.33 142.15 40.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.598 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 26.2 p90 -160.14 143.78 14.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 108.032 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.628 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 32.0 p90 -160.03 170.94 20.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 107.975 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.7 p -104.79 152.39 22.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.011 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -145.86 167.04 24.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -67.12 -11.17 56.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.598 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -102.39 -28.18 12.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.342 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.34 -174.93 33.42 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.477 1.111 . . . . 0.0 111.018 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.1 m -86.35 115.46 23.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.754 . . . . 0.0 110.391 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.628 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 17.8 mt -90.79 136.98 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.445 HG23 ' NH1' ' A' ' 38' ' ' ARG . 6.9 mt -132.34 128.89 59.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -133.26 114.66 14.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.285 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.477 ' CZ ' ' OXT' ' A' ' 61' ' ' ASN . 12.7 mtt85 -115.61 160.6 19.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.611 ' C ' ' CE2' ' A' ' 24' ' ' TYR . . . -178.37 -177.35 47.0 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.535 1.147 . . . . 0.0 110.977 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.48 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 20.3 m -86.19 151.97 23.2 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.411 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 95.69 -168.04 26.15 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.447 1.092 . . . . 0.0 111.0 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.428 ' HA ' ' HB3' ' A' ' 24' ' ' TYR . 37.8 t -144.89 74.28 14.68 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.502 ' HD2' ' CB ' ' A' ' 24' ' ' TYR . 62.0 Cg_endo -69.83 -179.69 3.12 Favored 'Trans proline' 0 C--N 1.325 -0.674 0 C-N-CA 124.167 3.245 . . . . 0.0 110.847 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.5 140.61 47.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.241 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.411 HG13 ' NZ ' ' A' ' 26' ' ' LYS . 13.7 m -114.57 163.02 12.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.456 ' HB3' ' CD ' ' A' ' 47' ' ' PRO . 15.3 mtmt -86.56 170.0 13.59 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.456 ' CD ' ' HB3' ' A' ' 46' ' ' LYS . 51.9 Cg_exo -58.92 134.11 58.04 Favored 'Trans proline' 0 C--N 1.325 -0.677 0 C-N-CA 124.351 3.367 . . . . 0.0 109.828 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.49 -35.52 4.92 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.5 t -81.74 146.08 7.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.557 0.799 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.598 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 51.8 m-80 -100.21 142.69 31.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.422 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 34.9 tp -141.76 140.98 33.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.418 ' O ' ' HA ' ' A' ' 24' ' ' TYR . 3.0 t-20 -138.68 118.46 13.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 67.9 m -110.5 143.98 40.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 108.299 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.3 p -151.94 164.78 36.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 108.327 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.481 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 39.6 mtm180 -111.69 45.92 1.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.557 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.2 p -134.43 143.61 47.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 110.382 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.411 ' OD1' HD13 ' A' ' 1' ' ' LEU . 0.8 OUTLIER -62.53 141.85 58.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.449 ' NE ' ' OE1' ' A' ' 2' ' ' GLU . 18.3 mtt85 42.81 35.15 0.67 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.557 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 16.4 p -86.51 -22.78 26.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 108.295 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.487 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 20.5 p-10 -95.6 49.49 1.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.559 ' HB2' ' CD2' ' A' ' 4' ' ' HIS . 1.7 t-20 . . . . . 0 C--O 1.25 1.107 0 CA-C-O 117.015 -1.469 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 13.5 tp . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.4 mp0 -111.65 146.35 37.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 1.081 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 12.4 m -136.68 137.23 39.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.163 . . . . 0.0 108.252 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.536 ' CD2' ' HB2' ' A' ' 61' ' ' ASN . 34.0 m-70 -60.5 146.3 45.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.621 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.428 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 4.5 p-10 -131.3 15.08 5.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.493 ' NE2' ' HA ' ' A' ' 12' ' ' PRO . 7.5 pt20 -65.32 143.3 57.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.549 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 3.7 tp-100 -106.83 132.57 52.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.447 ' N ' ' OE1' ' A' ' 7' ' ' GLN . 14.7 m 52.47 -129.69 2.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.017 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.0 m -92.3 1.09 57.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.993 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.621 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 9.0 mm-40 -46.21 169.12 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 110.305 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.621 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.7 Cg_exo -58.97 132.95 50.4 Favored 'Trans proline' 0 C--N 1.325 -0.709 0 C-N-CA 124.348 3.366 . . . . 0.0 109.871 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.493 ' HA ' ' NE2' ' A' ' 6' ' ' GLN . 52.0 Cg_exo -58.91 122.5 11.72 Favored 'Trans proline' 0 C--N 1.325 -0.708 0 C-N-CA 124.376 3.384 . . . . 0.0 109.869 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.449 ' O ' ' ND1' ' A' ' 4' ' ' HIS . 2.0 p -132.52 172.99 11.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.37 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.409 HG21 ' NE ' ' A' ' 58' ' ' ARG . 2.0 p -145.58 157.79 43.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 110.399 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.45 149.54 34.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.4 m -77.12 132.85 39.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 110.405 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 1.081 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -87.33 121.93 30.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 108.34 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.9 t -102.86 116.28 32.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.158 . . . . 0.0 110.027 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 78.05 -10.82 25.0 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.548 1.155 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.491 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 10.3 mt-10 -103.56 156.2 17.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 0.764 . . . . 0.0 110.26 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.1 p -135.39 15.54 3.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.164 . . . . 0.0 110.359 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.492 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 24.2 m-80 -134.43 154.95 51.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 109.289 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.465 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 51.6 m -117.5 138.51 51.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 108.314 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.658 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 12.4 p90 -118.14 149.88 40.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 111.042 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.544 ' HE3' ' CZ3' ' A' ' 27' ' ' TRP . 21.6 ttpt -136.37 118.35 15.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.559 ' HE3' ' CE1' ' A' ' 24' ' ' TYR . 9.5 mttt -109.48 142.24 40.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.586 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 25.5 p90 -158.27 144.92 17.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 107.986 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.632 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 39.4 p90 -160.01 169.88 22.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 107.984 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.1 t -105.18 151.61 23.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.998 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.488 ' OD2' ' CD1' ' A' ' 35' ' ' ILE . 94.4 m-20 -145.7 166.77 24.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -67.52 -9.95 47.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.627 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -102.48 -28.41 12.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 154.84 -174.94 33.06 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.474 1.109 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.1 m -85.86 116.51 24.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 0.747 . . . . 0.0 110.422 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.632 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 15.7 mt -93.23 135.82 26.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.532 ' CG2' ' NH1' ' A' ' 38' ' ' ARG . 7.8 mt -129.92 122.7 55.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -123.93 113.85 19.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.532 ' NH1' ' CG2' ' A' ' 36' ' ' ILE . 23.8 mtt85 -116.14 160.35 20.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.658 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -178.6 179.69 48.65 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.499 1.124 . . . . 0.0 111.021 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.0 m -84.57 151.49 24.51 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.4 -165.51 25.0 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.463 1.102 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.41 ' HA ' ' HB3' ' A' ' 24' ' ' TYR . 35.2 t -144.85 73.66 14.91 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.528 ' HD2' ' CB ' ' A' ' 24' ' ' TYR . 61.6 Cg_endo -69.8 -179.24 2.79 Favored 'Trans proline' 0 C--N 1.325 -0.686 0 C-N-CA 124.223 3.282 . . . . 0.0 110.834 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.9 ptmt -114.85 140.79 48.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.9 m -113.75 163.48 10.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.261 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.452 ' HB3' ' CD ' ' A' ' 47' ' ' PRO . 15.6 mttm -85.33 169.76 15.18 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.452 ' CD ' ' HB3' ' A' ' 46' ' ' LYS . 51.6 Cg_exo -58.9 133.95 57.03 Favored 'Trans proline' 0 C--N 1.325 -0.71 0 C-N-CA 124.333 3.355 . . . . 0.0 109.873 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.18 -35.21 5.1 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.517 1.136 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.453 HG12 ' CE3' ' A' ' 28' ' ' TRP . 2.6 t -81.75 146.05 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.586 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 53.1 m-80 -99.54 144.54 28.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.413 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 25.3 tp -144.63 139.92 28.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.338 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.422 ' O ' ' HA ' ' A' ' 24' ' ' TYR . 1.6 t-20 -138.81 120.03 14.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 61.2 m -109.76 145.0 37.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 108.284 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 p -153.9 164.22 38.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 108.314 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.492 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 48.4 mtt180 -111.7 45.79 1.19 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.58 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -132.2 144.18 50.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.436 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -61.33 140.27 58.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.409 ' NE ' HG21 ' A' ' 14' ' ' THR . 24.0 mtt180 41.43 37.46 0.67 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.143 . . . . 0.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.58 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 16.7 p -86.98 -22.03 25.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 108.328 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.465 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 17.8 p-10 -95.3 48.19 1.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.536 ' HB2' ' CD2' ' A' ' 4' ' ' HIS . 12.9 t30 . . . . . 0 C--O 1.25 1.09 0 CA-C-O 116.997 -1.478 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 12.8 tp . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -109.72 145.89 35.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.343 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.14 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 11.1 m -137.71 137.27 38.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 108.334 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.562 ' CD2' ' HB3' ' A' ' 61' ' ' ASN . 35.4 m-70 -62.31 138.64 58.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.592 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.44 ' OD1' ' C ' ' A' ' 5' ' ' ASN . 4.7 p30 -120.87 10.21 10.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.42 ' NE2' ' HA ' ' A' ' 12' ' ' PRO . 2.8 pt20 -68.25 141.39 55.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.449 ' O ' ' C ' ' A' ' 8' ' ' SER . 2.1 mm-40 -106.63 159.07 16.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.323 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 7' ' ' GLN . 3.6 m 35.49 -135.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.988 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 10' ' ' GLN . 66.7 m -90.8 -1.04 57.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.999 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.561 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 36.1 mm-40 -44.24 168.83 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.336 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.561 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.8 Cg_exo -58.92 131.68 43.19 Favored 'Trans proline' 0 C--N 1.325 -0.699 0 C-N-CA 124.369 3.379 . . . . 0.0 109.872 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.42 ' HA ' ' NE2' ' A' ' 6' ' ' GLN . 51.6 Cg_exo -58.86 126.57 21.54 Favored 'Trans proline' 0 C--N 1.325 -0.669 0 C-N-CA 124.343 3.362 . . . . 0.0 109.89 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.465 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.0 p -132.85 174.47 10.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.419 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 p -145.52 157.85 43.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.168 . . . . 0.0 110.41 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.411 ' HD3' ' N ' ' A' ' 16' ' ' THR . 6.3 tmtt? -149.0 148.93 30.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.411 ' N ' ' HD3' ' A' ' 15' ' ' LYS . 3.7 m -77.62 132.9 38.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.407 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 1.14 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -87.04 121.9 30.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 108.312 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.6 t -102.91 116.49 32.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 109.96 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 78.81 -11.11 28.76 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.498 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 14.9 mt-10 -103.33 159.88 15.18 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.52 0.776 . . . . 0.0 110.254 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.2 p -138.91 15.46 2.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 110.44 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.501 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 22.8 m-80 -134.92 155.12 51.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.478 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 52.8 m -117.2 137.18 52.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 108.348 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.657 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 12.5 p90 -116.9 152.91 33.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.467 ' HG2' ' CE3' ' A' ' 27' ' ' TRP . 20.4 ttpp -139.44 117.9 12.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.521 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 8.3 mtmt -109.3 141.76 41.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.579 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 27.9 p90 -159.3 144.83 16.01 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.642 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 37.9 p90 -160.43 170.09 21.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 107.97 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.4 m -104.97 153.72 21.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 109.986 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.492 ' OD2' ' CD1' ' A' ' 35' ' ' ILE . 87.6 m-20 -147.93 166.94 26.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 31.1 m80 -67.19 -10.59 52.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.639 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.8 ttp85 -102.4 -28.17 12.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.12 -174.92 33.26 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.48 1.113 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.5 m -87.11 114.27 23.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 0.79 . . . . 0.0 110.398 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.642 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 15.6 mt -89.85 134.61 28.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.409 ' O ' ' HA ' ' A' ' 7' ' ' GLN . 8.0 mt -130.14 124.18 57.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.433 ' HB3' ' CE ' ' A' ' 26' ' ' LYS . 35.1 tp10 -129.44 114.49 16.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.454 ' NH1' ' C ' ' A' ' 61' ' ' ASN . 50.5 mtt180 -119.73 160.43 22.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.657 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -176.73 -176.05 44.56 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.522 1.139 . . . . 0.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.0 m -84.21 151.58 24.75 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.68 -165.9 24.87 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.527 1.142 . . . . 0.0 110.959 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.421 ' HA ' ' HB3' ' A' ' 24' ' ' TYR . 36.9 t -145.93 74.03 13.4 Favored Pre-proline 0 C--N 1.325 -0.461 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.523 ' HD2' ' CB ' ' A' ' 24' ' ' TYR . 61.5 Cg_endo -69.81 -179.49 2.97 Favored 'Trans proline' 0 C--N 1.325 -0.694 0 C-N-CA 124.173 3.249 . . . . 0.0 110.831 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.2 tptp -114.87 140.51 48.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.2 m -113.89 163.41 11.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.451 ' HB3' ' CD ' ' A' ' 47' ' ' PRO . 21.3 mttp -85.5 169.92 14.59 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.451 ' CD ' ' HB3' ' A' ' 46' ' ' LYS . 52.0 Cg_exo -58.94 133.76 55.72 Favored 'Trans proline' 0 C--N 1.324 -0.731 0 C-N-CA 124.382 3.388 . . . . 0.0 109.834 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.39 -35.24 5.1 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.506 1.128 . . . . 0.0 111.025 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.452 HG11 ' CE3' ' A' ' 28' ' ' TRP . 2.5 t -81.47 145.86 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 0.759 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.579 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 51.9 m-80 -98.91 143.75 28.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.423 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 21.7 tp -144.14 139.28 28.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.427 ' O ' ' HA ' ' A' ' 24' ' ' TYR . 8.3 t30 -138.4 120.49 15.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.362 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 65.8 m -111.36 145.06 39.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 108.28 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 p -153.33 163.78 39.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 108.257 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.501 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 31.2 mtp180 -111.95 45.76 1.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.133 . . . . 0.0 110.34 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.565 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -132.38 144.27 50.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.414 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -61.4 139.82 58.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.0 mtt180 41.53 38.56 0.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.565 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 18.6 p -87.12 -23.08 24.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 108.316 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.478 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 22.2 p-10 -95.1 46.79 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.562 ' HB3' ' CD2' ' A' ' 4' ' ' HIS . 2.2 p-10 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 116.992 -1.48 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 12.8 tp . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -109.04 144.65 36.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 110.273 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.149 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 10.9 m -137.48 137.2 38.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 108.288 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.47 ' HA ' ' O ' ' A' ' 13' ' ' THR . 37.7 m-70 -62.89 139.76 58.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.626 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.442 ' C ' ' OD1' ' A' ' 5' ' ' ASN . 4.4 p30 -121.22 9.52 10.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.418 ' NE2' ' HB3' ' A' ' 12' ' ' PRO . 2.5 pt20 -66.72 139.28 57.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.33 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.453 ' O ' ' C ' ' A' ' 8' ' ' SER . 0.6 OUTLIER -106.33 161.53 14.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 7' ' ' GLN . 6.6 m 35.04 -132.4 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.977 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.5 m -95.06 -1.03 53.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.991 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.528 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 2.7 mt-30 -44.7 168.86 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 110.318 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.528 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.8 Cg_exo -58.94 130.6 37.39 Favored 'Trans proline' 0 C--N 1.325 -0.705 0 C-N-CA 124.341 3.36 . . . . 0.0 109.855 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.8 Cg_exo -58.92 126.79 22.14 Favored 'Trans proline' 0 C--N 1.325 -0.683 0 C-N-CA 124.357 3.372 . . . . 0.0 109.914 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.47 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.0 p -132.66 174.71 10.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.406 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 p -145.5 156.48 43.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 110.429 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.3 mtpt -147.43 149.26 32.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.444 1.09 . . . . 0.0 109.328 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.6 m -77.35 130.95 37.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.413 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 1.149 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.8 m -85.62 121.94 29.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 108.269 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.5 t -103.3 116.9 33.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.007 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 79.42 -10.88 34.17 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.484 1.115 . . . . 0.0 110.954 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.507 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 5.1 mt-10 -103.08 161.2 13.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 0.742 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.6 p -140.53 15.34 2.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.381 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.499 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 22.8 m-80 -135.64 154.89 51.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.49 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 51.5 m -117.38 138.28 51.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 108.286 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.677 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 12.1 p90 -117.96 153.33 33.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.093 . . . . 0.0 111.001 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.558 ' HE3' ' CZ3' ' A' ' 27' ' ' TRP . 17.5 ttpt -139.7 117.68 11.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.541 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 12.9 mtmt -109.36 142.75 39.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.571 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 24.3 p90 -160.12 144.38 14.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 108.011 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.625 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 35.3 p90 -162.13 171.02 18.12 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.9 t -102.66 153.18 20.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -146.36 166.46 26.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.441 ' CD2' ' H ' ' A' ' 31' ' ' HIS . 6.4 p80 -66.77 -11.3 54.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.608 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 64.1 mtt180 -102.47 -28.15 12.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.301 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.21 -174.92 33.33 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.2 m -82.92 113.13 20.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 0.794 . . . . 0.0 110.358 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.625 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 11.2 mt -88.81 131.51 36.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.405 ' O ' ' HA ' ' A' ' 7' ' ' GLN . 11.1 mt -126.66 122.4 60.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.396 1.06 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 65.5 tt0 -129.08 114.3 16.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.271 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.469 ' CD ' ' HG3' ' A' ' 25' ' ' LYS . 45.8 mtt180 -124.98 161.0 27.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.677 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -176.15 -172.68 41.12 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.567 1.167 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.7 m -84.0 150.95 25.29 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.5 -165.67 24.97 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.421 ' HA ' ' HB3' ' A' ' 24' ' ' TYR . 35.8 t -145.4 74.34 13.99 Favored Pre-proline 0 C--N 1.325 -0.465 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.527 ' HD2' ' CB ' ' A' ' 24' ' ' TYR . 61.6 Cg_endo -69.81 -179.14 2.73 Favored 'Trans proline' 0 C--N 1.325 -0.686 0 C-N-CA 124.205 3.27 . . . . 0.0 110.846 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.95 140.97 48.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.254 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.466 ' CG1' ' HD2' ' A' ' 26' ' ' LYS . 17.0 m -113.67 162.32 11.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.462 ' HB3' ' CD ' ' A' ' 47' ' ' PRO . 29.3 mtmt -85.61 170.38 13.21 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.462 ' CD ' ' HB3' ' A' ' 46' ' ' LYS . 51.7 Cg_exo -58.83 133.21 52.37 Favored 'Trans proline' 0 C--N 1.325 -0.674 0 C-N-CA 124.359 3.373 . . . . 0.0 109.855 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.39 -35.24 5.1 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.527 1.142 . . . . 0.0 110.983 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.514 HG11 ' CE3' ' A' ' 28' ' ' TRP . 2.6 t -81.49 147.21 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 0.749 . . . . 0.0 109.257 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.571 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 53.0 m-80 -100.78 144.33 29.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.337 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.452 ' CD2' HG13 ' A' ' 45' ' ' VAL . 18.1 tp -144.49 139.76 28.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.441 ' O ' ' HA ' ' A' ' 24' ' ' TYR . 2.4 t-20 -138.72 120.44 15.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 63.2 m -111.16 146.1 37.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 108.265 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 p -153.97 163.89 39.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 108.299 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.499 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 16.2 mtt85 -112.06 46.05 1.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.33 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.565 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -133.04 144.48 50.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.351 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -61.19 140.19 57.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.2 mtt180 41.02 38.24 0.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.306 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.565 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 18.9 p -86.33 -21.68 27.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 108.294 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.49 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 25.6 p-10 -95.18 47.26 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.448 ' OXT' ' NH1' ' A' ' 38' ' ' ARG . 11.5 t-20 . . . . . 0 C--O 1.25 1.125 0 CA-C-O 117.003 -1.475 . . . . 0.0 109.326 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 13.2 tp . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -111.05 145.62 38.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.178 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 10.0 m -137.39 137.45 38.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 0.0 108.305 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.468 ' HA ' ' O ' ' A' ' 13' ' ' THR . 37.0 m-70 -62.64 139.96 58.67 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 109.621 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.442 ' OD1' ' C ' ' A' ' 5' ' ' ASN . 4.4 p30 -121.62 9.41 10.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.448 ' O ' ' NH1' ' A' ' 38' ' ' ARG . 2.1 pt20 -66.78 140.89 57.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.442 ' O ' ' C ' ' A' ' 8' ' ' SER . 23.4 mp0 -106.31 156.74 18.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.284 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 7' ' ' GLN . 5.5 m 36.04 -133.41 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.03 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.9 m -91.33 -1.29 57.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.566 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 37.6 mm-40 -44.47 168.71 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.566 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.7 Cg_exo -58.95 128.98 29.85 Favored 'Trans proline' 0 C--N 1.325 -0.7 0 C-N-CA 124.329 3.353 . . . . 0.0 109.877 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.418 ' HB3' ' NE2' ' A' ' 6' ' ' GLN . 51.7 Cg_exo -58.93 125.48 18.32 Favored 'Trans proline' 0 C--N 1.324 -0.717 0 C-N-CA 124.344 3.363 . . . . 0.0 109.862 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.468 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.0 p -132.48 174.85 9.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.41 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -145.3 156.76 44.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.405 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.5 mttt -146.93 149.06 32.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.7 m -77.71 127.71 32.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 110.405 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 1.178 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -81.2 122.03 26.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 0.0 108.285 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.9 p -102.66 116.63 32.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.59 1.181 . . . . 0.0 110.004 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 78.35 -11.34 24.7 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.565 1.166 . . . . 0.0 110.993 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.487 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 10.2 mt-10 -103.49 156.57 17.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.272 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.9 p -135.65 15.76 3.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.377 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.499 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 23.1 m-80 -134.98 155.03 51.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.476 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 52.0 m -117.32 137.6 52.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 108.297 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.659 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 12.7 p90 -117.26 153.19 33.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.479 ' HG3' ' CD ' ' A' ' 38' ' ' ARG . 24.1 ttpt -140.39 117.62 11.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.532 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 6.9 mttt -109.26 142.63 39.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.582 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 25.4 p90 -159.29 144.67 15.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 108.002 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.626 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 36.6 p90 -161.3 171.03 19.05 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 96.9 p -103.82 152.98 21.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.014 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -146.57 166.97 24.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -67.28 -11.07 56.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.585 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.0 mmm-85 -102.37 -28.13 12.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.07 -174.99 33.22 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.486 1.116 . . . . 0.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.8 m -84.24 113.61 21.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 0.758 . . . . 0.0 110.432 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.626 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 13.5 mt -89.3 132.69 33.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.473 HG22 ' CZ ' ' A' ' 38' ' ' ARG . 8.1 mt -128.99 122.64 57.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -126.87 114.31 17.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.326 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.479 ' CD ' ' HG3' ' A' ' 25' ' ' LYS . 12.7 mtt85 -118.99 160.74 21.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.659 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -177.99 -176.25 45.81 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.469 1.105 . . . . 0.0 111.025 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.434 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 19.0 m -85.04 152.02 23.74 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.402 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 95.62 -165.63 24.79 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.415 ' HA ' ' HB3' ' A' ' 24' ' ' TYR . 37.3 t -145.98 73.47 13.46 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.523 ' HD2' ' CB ' ' A' ' 24' ' ' TYR . 61.8 Cg_endo -69.79 -179.28 2.81 Favored 'Trans proline' 0 C--N 1.325 -0.669 0 C-N-CA 124.188 3.259 . . . . 0.0 110.83 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.0 140.63 48.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.7 m -113.74 163.56 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.447 ' HB3' ' CD ' ' A' ' 47' ' ' PRO . 22.5 mtpt -85.44 169.78 15.03 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.447 ' CD ' ' HB3' ' A' ' 46' ' ' LYS . 51.8 Cg_exo -58.86 133.88 56.65 Favored 'Trans proline' 0 C--N 1.325 -0.677 0 C-N-CA 124.402 3.401 . . . . 0.0 109.845 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.2 -35.15 5.15 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.523 1.139 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.493 HG13 ' CE3' ' A' ' 28' ' ' TRP . 2.6 t -81.63 146.26 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.56 0.8 . . . . 0.0 109.327 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.582 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 52.7 m-80 -99.22 144.85 27.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.418 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 22.4 tp -145.15 139.66 27.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.43 ' O ' ' HA ' ' A' ' 24' ' ' TYR . 2.1 t30 -138.74 120.92 15.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.359 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.445 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 63.6 m -111.37 145.25 39.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 108.275 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 p -152.98 163.72 39.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 108.32 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.499 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 14.3 mtm-85 -112.2 46.06 1.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.337 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.568 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -133.02 144.26 49.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.398 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -61.26 140.39 57.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.1 mtt180 41.1 37.82 0.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.568 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 18.1 p -86.37 -23.31 26.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 0.0 108.325 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.476 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 19.4 p-10 -95.47 48.81 1.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 . . . . . 0 C--O 1.25 1.127 0 CA-C-O 116.989 -1.482 . . . . 0.0 109.317 179.973 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 13.1 tp . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 33.8 mp0 -111.08 145.68 38.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.154 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 10.5 m -137.57 137.55 38.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 108.311 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.465 ' HA ' ' O ' ' A' ' 13' ' ' THR . 37.3 m-70 -62.94 136.96 58.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.584 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.441 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 4.4 p-10 -119.61 15.11 12.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.26 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.451 ' O ' ' NH1' ' A' ' 38' ' ' ARG . 2.0 pt20 -72.83 141.65 48.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.5 ' CG ' ' N ' ' A' ' 8' ' ' SER . 21.2 tt0 -106.61 159.41 16.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.5 ' N ' ' CG ' ' A' ' 7' ' ' GLN . 4.9 m 34.81 -133.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.999 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.9 p -92.58 -0.69 57.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.013 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.549 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 2.3 mm100 -44.42 169.15 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.549 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.8 Cg_exo -58.93 128.06 26.58 Favored 'Trans proline' 0 C--N 1.324 -0.726 0 C-N-CA 124.395 3.396 . . . . 0.0 109.856 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.424 ' HB3' ' NE2' ' A' ' 6' ' ' GLN . 51.9 Cg_exo -58.85 125.69 18.97 Favored 'Trans proline' 0 C--N 1.325 -0.682 0 C-N-CA 124.339 3.36 . . . . 0.0 109.874 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.465 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.1 p -132.7 175.11 9.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.41 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 p -144.26 157.86 44.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.411 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.7 tptt -148.79 149.07 30.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.347 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.6 m -77.44 130.07 36.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.415 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 1.154 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -83.7 122.13 28.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 108.279 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 89.7 p -102.82 116.62 32.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.965 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 78.87 -11.21 28.78 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.503 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 5.7 mt-10 -103.35 159.4 15.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 0.754 . . . . 0.0 110.296 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.1 p -138.53 15.51 2.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.407 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.501 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 23.0 m-80 -135.46 155.14 51.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.477 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 50.5 m -117.26 137.47 52.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 108.293 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.635 ' CE2' ' C ' ' A' ' 39' ' ' GLY . 16.9 p90 -117.79 153.32 33.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.975 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.488 ' HG3' ' CD ' ' A' ' 38' ' ' ARG . 36.9 tttm -140.77 118.72 11.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.534 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 0.2 OUTLIER -110.14 143.31 40.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.58 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 25.7 p90 -159.53 144.74 15.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 108.029 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.619 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 34.1 p90 -161.7 171.09 18.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 107.983 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 94.8 p -103.43 152.59 21.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.95 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.418 ' OD1' ' CD1' ' A' ' 28' ' ' TRP . 1.4 m-20 -145.93 166.99 24.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.353 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 41.1 p-80 -67.08 -11.19 56.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.544 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -102.43 -28.23 12.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 110.333 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.0 -175.05 33.15 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.12 . . . . 0.0 111.001 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.1 m -83.61 113.81 21.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.767 . . . . 0.0 110.411 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.619 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 13.7 mt -89.42 132.84 33.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.482 HG23 ' CZ ' ' A' ' 38' ' ' ARG . 8.7 mt -128.6 123.52 59.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -128.03 114.32 16.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 110.333 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.488 ' CD ' ' HG3' ' A' ' 25' ' ' LYS . 12.3 mtt85 -119.49 160.86 21.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.262 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.635 ' C ' ' CE2' ' A' ' 24' ' ' TYR . . . -178.39 -175.86 45.84 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.545 1.153 . . . . 0.0 110.985 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.418 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 20.4 m -85.24 151.94 23.7 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.402 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 95.73 -166.37 25.05 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.13 . . . . 0.0 111.034 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.442 ' HA ' ' HB3' ' A' ' 24' ' ' TYR . 37.3 t -145.29 73.76 14.25 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.526 ' HD2' ' CB ' ' A' ' 24' ' ' TYR . 61.5 Cg_endo -69.75 -179.44 2.91 Favored 'Trans proline' 0 C--N 1.324 -0.711 0 C-N-CA 124.199 3.266 . . . . 0.0 110.874 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.0 ptpt -115.28 140.74 48.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.461 HG13 ' CE ' ' A' ' 26' ' ' LYS . 18.3 m -113.93 163.54 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.45 ' HB3' ' CD ' ' A' ' 47' ' ' PRO . 28.8 mtpt -85.59 169.96 14.41 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.341 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.45 ' CD ' ' HB3' ' A' ' 46' ' ' LYS . 51.7 Cg_exo -58.88 133.77 55.89 Favored 'Trans proline' 0 C--N 1.324 -0.714 0 C-N-CA 124.422 3.414 . . . . 0.0 109.876 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.36 -35.27 5.08 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.522 1.139 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.445 HG11 ' CE3' ' A' ' 28' ' ' TRP . 2.6 t -81.5 146.7 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 0.76 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.58 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 53.1 m-80 -99.86 144.34 29.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.256 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.417 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 27.0 tp -145.21 139.77 27.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.434 ' O ' ' HA ' ' A' ' 24' ' ' TYR . 3.2 t-20 -139.04 121.75 16.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.436 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 62.2 m -111.89 145.86 38.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 108.269 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 p -153.46 163.6 39.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 108.28 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.501 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 39.5 mtt180 -112.12 45.96 1.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 110.284 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.567 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -132.73 144.31 50.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.416 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -61.37 140.24 58.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.401 ' O ' ' ND2' ' A' ' 61' ' ' ASN . 14.7 mtt180 41.3 37.81 0.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.567 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 18.1 p -86.4 -23.33 26.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 108.299 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.477 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 19.1 p-10 -95.49 49.11 1.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.455 ' O ' ' CZ ' ' A' ' 38' ' ' ARG . 1.6 m120 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 117.045 -1.455 . . . . 0.0 109.34 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 13.1 tp . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -110.44 145.55 37.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 110.291 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.168 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 10.7 m -137.38 137.35 38.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 108.293 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.469 ' HA ' ' O ' ' A' ' 13' ' ' THR . 37.7 m-70 -62.86 139.18 58.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.599 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.441 ' OD1' ' C ' ' A' ' 5' ' ' ASN . 4.6 p30 -120.99 10.31 10.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.448 ' O ' ' NH1' ' A' ' 38' ' ' ARG . 2.1 pt20 -67.28 141.21 57.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.491 ' CG ' ' N ' ' A' ' 8' ' ' SER . 22.8 tt0 -106.56 159.01 16.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.491 ' N ' ' CG ' ' A' ' 7' ' ' GLN . 5.7 m 34.66 -133.06 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.036 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.3 m -92.64 -1.39 56.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 110.016 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.544 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 2.1 mm100 -44.44 169.14 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.282 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.544 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.7 Cg_exo -58.99 129.47 32.07 Favored 'Trans proline' 0 C--N 1.325 -0.69 0 C-N-CA 124.322 3.348 . . . . 0.0 109.883 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.42 ' HB3' ' NE2' ' A' ' 6' ' ' GLN . 51.9 Cg_exo -58.86 126.41 21.08 Favored 'Trans proline' 0 C--N 1.325 -0.699 0 C-N-CA 124.349 3.366 . . . . 0.0 109.856 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.469 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.0 p -132.42 175.13 9.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.383 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -145.19 157.31 44.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 110.372 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.6 tptt -147.81 148.76 31.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.5 m -77.76 128.76 34.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 0.0 110.364 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 1.168 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -82.14 122.08 27.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 108.277 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 m -102.53 116.54 32.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.038 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.73 -10.9 22.34 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.537 1.148 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.486 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 10.8 mt-10 -103.69 157.08 17.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.777 . . . . 0.0 110.318 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.2 p -136.19 15.9 3.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.083 . . . . 0.0 110.426 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.499 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 22.3 m-80 -134.97 155.19 51.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.481 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 46.2 m -117.54 136.83 52.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 108.296 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.655 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 13.0 p90 -116.1 151.21 36.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.474 ' HG3' ' CD ' ' A' ' 38' ' ' ARG . 5.7 ttpm? -136.19 117.14 14.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.582 ' HD2' ' CZ3' ' A' ' 28' ' ' TRP . 2.2 ttmm -108.98 141.67 40.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.612 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 22.8 p90 -160.62 143.63 13.21 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.59 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 29.0 p90 -159.7 171.13 20.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 108.032 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 84.6 p -104.43 152.85 21.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.964 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -146.45 166.96 24.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.41 ' N ' ' HD1' ' A' ' 31' ' ' HIS . 1.0 OUTLIER -67.5 -10.41 51.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.613 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -102.51 -28.18 12.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.313 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.11 -174.88 33.26 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.482 1.114 . . . . 0.0 111.019 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.1 m -85.23 113.37 21.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 110.399 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.59 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 13.6 mt -89.87 132.91 33.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.48 HG21 ' CZ ' ' A' ' 38' ' ' ARG . 9.1 mt -127.96 124.19 62.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -128.87 114.24 16.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.334 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.48 ' CZ ' HG21 ' A' ' 36' ' ' ILE . 13.5 mtt85 -119.02 160.78 21.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.655 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -177.45 -177.07 46.04 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.525 1.141 . . . . 0.0 111.014 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.451 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 19.0 m -84.34 151.97 24.4 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.415 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 95.62 -166.98 25.5 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.529 1.143 . . . . 0.0 110.933 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.411 ' HA ' ' HB3' ' A' ' 24' ' ' TYR . 37.6 t -145.91 74.28 13.37 Favored Pre-proline 0 C--N 1.326 -0.431 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.489 ' HD2' ' CB ' ' A' ' 24' ' ' TYR . 61.6 Cg_endo -69.86 178.28 4.79 Favored 'Trans proline' 0 C--N 1.325 -0.67 0 C-N-CA 124.169 3.246 . . . . 0.0 110.798 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.05 139.77 46.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.407 HG13 ' NZ ' ' A' ' 26' ' ' LYS . 11.8 m -114.77 161.97 13.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.467 ' HB3' ' CD ' ' A' ' 47' ' ' PRO . 12.9 mtpp -86.72 170.28 12.78 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.467 ' CD ' ' HB3' ' A' ' 46' ' ' LYS . 51.8 Cg_exo -58.95 134.58 61.03 Favored 'Trans proline' 0 C--N 1.325 -0.675 0 C-N-CA 124.319 3.346 . . . . 0.0 109.877 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.28 -35.46 4.94 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.411 HG12 ' CG ' ' A' ' 26' ' ' LYS . 2.5 t -82.0 145.56 8.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.495 0.762 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.612 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 52.4 m-80 -99.78 141.48 32.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.438 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 36.0 tp -141.74 140.39 33.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.423 ' O ' ' HA ' ' A' ' 24' ' ' TYR . 12.2 t-20 -138.66 118.13 12.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.456 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 64.4 m -109.86 145.36 36.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 108.306 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 p -153.48 163.4 40.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 108.331 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.499 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 24.1 mtp180 -112.21 46.13 1.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.561 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -133.37 144.33 49.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 110.398 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -61.26 140.41 57.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.427 ' O ' ' ND2' ' A' ' 61' ' ' ASN . 24.1 mtt180 40.98 38.06 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.561 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 19.2 p -86.17 -23.4 26.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 108.328 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.481 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 23.7 p-10 -95.44 48.7 1.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.431 ' OXT' ' CZ ' ' A' ' 38' ' ' ARG . 7.6 m-80 . . . . . 0 C--O 1.25 1.124 0 CA-C-O 116.971 -1.49 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 13.0 tp . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -111.49 146.09 37.88 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.49 1.119 . . . . 0.0 110.256 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.154 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 11.0 m -137.16 137.53 39.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 108.241 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.55 ' CD2' ' HB3' ' A' ' 61' ' ' ASN . 36.5 m-70 -62.21 136.36 57.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.609 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.44 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 4.8 p-10 -119.59 14.93 12.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.44 ' CD ' ' HA ' ' A' ' 12' ' ' PRO . 2.6 pt20 -75.0 142.11 43.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.459 ' O ' ' C ' ' A' ' 8' ' ' SER . 0.3 OUTLIER -106.7 160.16 15.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.11 . . . . 0.0 110.263 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.459 ' C ' ' O ' ' A' ' 7' ' ' GLN . 3.7 m 35.11 -135.21 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.017 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 10' ' ' GLN . 75.3 p -91.41 0.06 57.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.969 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.566 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 37.4 mm-40 -44.28 169.13 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 110.277 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.566 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 52.0 Cg_exo -58.93 128.8 29.23 Favored 'Trans proline' 0 C--N 1.325 -0.685 0 C-N-CA 124.35 3.367 . . . . 0.0 109.813 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.44 ' HA ' ' CD ' ' A' ' 6' ' ' GLN . 51.6 Cg_exo -58.85 124.59 16.07 Favored 'Trans proline' 0 C--N 1.325 -0.703 0 C-N-CA 124.377 3.384 . . . . 0.0 109.906 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.456 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.1 p -132.79 174.3 10.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 110.407 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 p -144.82 158.07 43.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.406 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.7 ttmt -148.09 148.98 31.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.9 m -77.53 128.85 34.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 110.367 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 1.154 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -82.2 122.24 27.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 108.347 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.5 p -102.53 116.49 32.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 110.001 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 78.39 -11.45 24.51 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.518 1.136 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.489 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 9.9 mt-10 -103.53 157.39 17.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 110.277 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.3 p -136.56 15.79 3.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.417 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.499 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 22.9 m-80 -135.15 154.87 51.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.48 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 50.9 m -117.09 137.63 52.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 108.293 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.645 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 12.9 p90 -117.39 150.77 38.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.442 ' HE2' ' CZ3' ' A' ' 27' ' ' TRP . 3.4 ttpm? -137.25 116.48 12.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.584 ' HE2' ' CZ3' ' A' ' 28' ' ' TRP . 27.4 tttt -109.36 143.18 39.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.593 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 26.7 p90 -159.36 144.32 15.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 107.958 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.59 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 18.3 p90 -159.16 171.11 20.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 107.983 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.7 p -103.77 152.51 21.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 110.036 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -144.81 167.02 23.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -67.08 -10.55 51.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.636 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 57.2 mtp180 -102.44 -28.25 12.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.279 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 154.86 -175.12 33.02 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.501 1.126 . . . . 0.0 110.963 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.4 m -82.68 115.04 21.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 0.778 . . . . 0.0 110.377 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.59 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 14.6 mt -92.74 134.54 30.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.484 HG21 ' CZ ' ' A' ' 38' ' ' ARG . 7.1 mt -129.5 127.11 64.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -130.23 114.44 15.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.278 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.484 ' CZ ' HG21 ' A' ' 36' ' ' ILE . 11.0 mtt85 -116.53 160.84 20.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.645 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -177.82 -178.85 47.66 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.531 1.144 . . . . 0.0 110.999 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.448 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 19.4 m -84.44 152.31 24.08 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.7 -165.63 24.69 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.535 1.147 . . . . 0.0 111.007 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.418 ' HA ' ' HB3' ' A' ' 24' ' ' TYR . 36.9 t -146.11 73.74 13.24 Favored Pre-proline 0 C--N 1.324 -0.506 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.524 ' HD2' ' CB ' ' A' ' 24' ' ' TYR . 62.1 Cg_endo -69.78 -179.21 2.76 Favored 'Trans proline' 0 C--N 1.325 -0.682 0 C-N-CA 124.174 3.25 . . . . 0.0 110.862 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -114.96 140.74 48.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.9 m -113.78 163.76 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.438 ' HB3' ' CD ' ' A' ' 47' ' ' PRO . 2.0 mtmp? -85.25 169.53 15.9 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.438 ' CD ' ' HB3' ' A' ' 46' ' ' LYS . 52.0 Cg_exo -59.01 133.52 53.97 Favored 'Trans proline' 0 C--N 1.325 -0.665 0 C-N-CA 124.358 3.372 . . . . 0.0 109.846 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.14 -35.26 5.07 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.472 1.107 . . . . 0.0 111.046 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.482 HG11 ' CE ' ' A' ' 26' ' ' LYS . 3.9 t -79.61 149.11 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.593 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 55.1 m-80 -101.86 143.43 31.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.421 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 29.3 tp -145.37 139.73 27.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.427 ' O ' ' HA ' ' A' ' 24' ' ' TYR . 1.1 t30 -138.91 120.52 15.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.441 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 62.9 m -110.73 145.45 38.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 108.298 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 p -153.49 163.76 39.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 108.257 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.499 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 12.1 mtm-85 -112.08 46.05 1.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.142 . . . . 0.0 110.254 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.567 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -132.95 144.28 50.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 110.426 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -61.34 140.2 58.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 22.8 mtt180 41.38 37.92 0.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.567 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 18.0 p -86.67 -22.85 25.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 108.278 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.48 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 20.5 p-10 -95.44 48.62 1.16 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.55 ' HB3' ' CD2' ' A' ' 4' ' ' HIS . 23.2 p-10 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 116.984 -1.484 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.429 ' CD2' ' C ' ' A' ' 21' ' ' THR . 15.2 tp . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -106.6 145.48 31.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.271 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.195 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 11.4 m -137.88 137.21 37.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 108.279 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.444 ' HA ' ' O ' ' A' ' 13' ' ' THR . 36.6 m-70 -63.03 137.15 58.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.625 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.44 ' C ' ' OD1' ' A' ' 5' ' ' ASN . 5.0 p30 -120.05 11.28 11.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.433 ' CD ' ' HA ' ' A' ' 12' ' ' PRO . 2.6 pt20 -71.35 142.29 50.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.46 ' O ' ' C ' ' A' ' 8' ' ' SER . 2.0 pt20 -106.7 159.21 16.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.46 ' C ' ' O ' ' A' ' 7' ' ' GLN . 3.8 m 34.97 -135.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 10' ' ' GLN . 99.7 p -90.52 -0.79 57.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.971 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.563 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 36.8 mm-40 -44.26 169.1 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.266 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.563 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.7 Cg_exo -58.91 129.54 32.5 Favored 'Trans proline' 0 C--N 1.325 -0.685 0 C-N-CA 124.363 3.375 . . . . 0.0 109.846 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.433 ' HA ' ' CD ' ' A' ' 6' ' ' GLN . 51.7 Cg_exo -58.85 125.99 19.86 Favored 'Trans proline' 0 C--N 1.326 -0.655 0 C-N-CA 124.309 3.339 . . . . 0.0 109.892 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.444 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.1 p -132.66 174.21 10.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.385 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.3 p -145.01 157.23 44.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.409 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.07 148.8 30.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.7 m -77.94 132.37 37.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.334 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 1.195 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -85.72 122.17 29.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 108.277 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.6 t -102.24 116.39 32.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.033 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 78.62 -12.1 23.19 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.52 1.138 . . . . 0.0 110.988 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.475 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 11.8 mt-10 -103.56 156.61 17.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 0.749 . . . . 0.0 110.321 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.429 ' C ' ' CD2' ' A' ' 1' ' ' LEU . 4.4 p -135.58 15.74 3.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.408 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.484 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 24.9 m-80 -134.65 154.48 51.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.484 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 41.1 m -116.84 137.97 51.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 108.267 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.649 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 14.1 p90 -116.72 152.96 33.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 111.038 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.535 ' HE2' ' CE3' ' A' ' 27' ' ' TRP . 24.5 tttt -139.1 117.42 11.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.568 ' HD3' ' CZ3' ' A' ' 28' ' ' TRP . 2.5 ttmp? -108.96 141.65 40.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.118 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.582 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 27.5 p90 -158.66 144.94 17.02 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.62 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 29.2 p90 -161.43 171.08 18.81 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.5 t -103.25 152.66 21.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.034 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -145.44 166.99 24.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 18.5 t-160 -67.08 -11.16 56.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.585 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -102.48 -28.33 12.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.19 -174.96 33.31 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.2 m -83.1 115.19 21.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 0.751 . . . . 0.0 110.436 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.62 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 13.5 mt -91.3 134.33 30.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.466 HG23 ' CZ ' ' A' ' 38' ' ' ARG . 6.6 mt -131.28 127.07 59.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.127 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -132.73 114.92 14.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.466 ' CZ ' HG23 ' A' ' 36' ' ' ILE . 7.7 mtt85 -116.38 160.83 19.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.259 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.649 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -176.5 -177.16 45.26 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.538 1.149 . . . . 0.0 111.005 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.453 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 18.5 m -85.13 151.81 23.85 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.402 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 95.46 -166.8 25.62 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.504 1.127 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.408 ' HA ' ' HB3' ' A' ' 24' ' ' TYR . 36.3 t -145.19 73.68 14.4 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.517 ' HD2' ' CB ' ' A' ' 24' ' ' TYR . 61.6 Cg_endo -69.84 -179.09 2.7 Favored 'Trans proline' 0 C--N 1.325 -0.677 0 C-N-CA 124.183 3.256 . . . . 0.0 110.849 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.8 pttp -114.45 141.06 48.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.452 ' CG1' ' HE3' ' A' ' 26' ' ' LYS . 16.7 m -113.61 162.56 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.459 ' HB3' ' CD ' ' A' ' 47' ' ' PRO . 22.2 mtmm -85.58 170.19 13.77 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.459 ' CD ' ' HB3' ' A' ' 46' ' ' LYS . 51.6 Cg_exo -58.9 133.4 53.44 Favored 'Trans proline' 0 C--N 1.325 -0.693 0 C-N-CA 124.332 3.355 . . . . 0.0 109.9 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.34 -35.22 5.11 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.478 1.111 . . . . 0.0 110.973 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.6 t -81.68 147.0 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 109.329 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.582 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 52.8 m-80 -100.7 144.69 29.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.355 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.424 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 36.8 tp -143.86 140.19 29.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.426 ' O ' ' HA ' ' A' ' 24' ' ' TYR . 6.3 t30 -138.73 119.51 14.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 63.7 m -110.63 144.68 39.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 108.296 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.2 p -152.57 164.7 37.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 108.321 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.484 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 23.7 mtp85 -111.73 46.06 1.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.554 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.2 p -134.86 143.57 47.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.384 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.408 ' OD1' HD13 ' A' ' 1' ' ' LEU . 0.9 OUTLIER -62.49 142.32 57.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.1 mtt180 42.75 34.87 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.554 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 15.8 p -86.31 -22.83 26.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 108.303 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.484 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 22.5 p-10 -95.55 49.48 1.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.0 p30 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 116.983 -1.484 . . . . 0.0 109.275 -179.972 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 13.5 tp . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.433 ' CD ' ' N ' ' A' ' 2' ' ' GLU . 4.6 mp0 -109.93 146.2 35.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.181 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 10.0 m -137.36 137.25 38.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 108.322 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.486 ' CD2' ' HB3' ' A' ' 61' ' ' ASN . 36.7 m-70 -62.33 144.04 56.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.536 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.447 ' C ' ' OD1' ' A' ' 5' ' ' ASN . 4.2 p30 -127.1 9.13 6.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.416 ' CD ' ' HA ' ' A' ' 12' ' ' PRO . 2.0 pt20 -65.69 143.91 57.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 110.296 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.479 ' CG ' ' O ' ' A' ' 36' ' ' ILE . 24.8 tt0 -106.71 154.85 20.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.46 ' C ' ' O ' ' A' ' 7' ' ' GLN . 5.2 m 34.57 -133.71 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.566 1.166 . . . . 0.0 109.966 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 10' ' ' GLN . 38.8 m -89.18 -2.67 58.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.013 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.556 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 3.1 mm100 -44.15 169.23 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.556 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.8 Cg_exo -58.94 126.81 22.19 Favored 'Trans proline' 0 C--N 1.324 -0.723 0 C-N-CA 124.39 3.393 . . . . 0.0 109.841 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.416 ' HA ' ' CD ' ' A' ' 6' ' ' GLN . 51.6 Cg_exo -58.84 126.89 22.47 Favored 'Trans proline' 0 C--N 1.326 -0.656 0 C-N-CA 124.358 3.372 . . . . 0.0 109.842 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.449 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.1 p -132.62 175.01 9.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.375 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -144.71 156.91 44.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 110.431 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.0 ttpt -146.65 149.01 32.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.6 m -77.49 129.74 36.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.442 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 1.181 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -83.45 122.04 27.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 108.263 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.9 t -102.93 116.58 32.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.965 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.85 -10.66 24.37 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.538 1.149 . . . . 0.0 110.959 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.492 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 9.6 mt-10 -103.5 156.25 17.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 0.732 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.3 p -135.27 15.62 3.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.391 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.496 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 23.0 m-80 -135.47 155.09 51.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.338 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.476 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 52.9 m -117.67 138.05 52.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 108.293 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.663 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 13.7 p90 -116.71 149.69 39.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.573 ' HE3' ' CE3' ' A' ' 27' ' ' TRP . 26.0 tttp -134.08 117.42 16.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.577 ' HD2' ' CZ3' ' A' ' 28' ' ' TRP . 2.3 ttmm -108.6 142.04 39.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.607 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 22.5 p90 -160.84 144.05 13.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 108.02 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.613 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 26.5 p90 -160.62 171.01 19.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 108.018 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.2 t -103.54 152.64 21.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.992 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.403 ' OD1' ' CD1' ' A' ' 28' ' ' TRP . 0.8 OUTLIER -145.79 167.05 24.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -67.27 -10.79 54.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.56 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 54.8 mmm-85 -102.47 -28.23 12.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.31 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 154.9 -174.95 33.1 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.2 m -83.47 114.13 21.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 0.76 . . . . 0.0 110.406 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.613 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 14.8 mt -90.86 134.12 30.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.479 ' O ' ' CG ' ' A' ' 7' ' ' GLN . 8.6 mt -128.88 126.9 65.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -130.78 114.53 15.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.32 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.489 ' CZ ' ' OXT' ' A' ' 61' ' ' ASN . 12.6 mtt85 -116.26 160.71 20.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.331 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.663 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -177.07 -179.26 47.36 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.468 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 19.0 m -85.02 151.52 24.11 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.408 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 95.33 -167.21 26.04 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.453 1.096 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 36.1 t -144.57 73.89 15.35 Favored Pre-proline 0 C--N 1.325 -0.467 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.485 ' HD2' ' CB ' ' A' ' 24' ' ' TYR . 62.2 Cg_endo -69.78 179.97 3.34 Favored 'Trans proline' 0 C--N 1.325 -0.7 0 C-N-CA 124.204 3.269 . . . . 0.0 110.83 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.406 ' NZ ' ' HB2' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -112.39 140.29 47.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.3 m -114.48 162.05 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.46 ' HB3' ' CD ' ' A' ' 47' ' ' PRO . 19.6 mtmm -86.54 170.13 13.29 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.081 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.46 ' CD ' ' HB3' ' A' ' 46' ' ' LYS . 51.8 Cg_exo -58.91 134.53 60.8 Favored 'Trans proline' 0 C--N 1.326 -0.657 0 C-N-CA 124.326 3.351 . . . . 0.0 109.89 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.13 -35.31 5.04 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.434 1.084 . . . . 0.0 111.046 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.44 HG12 ' CG ' ' A' ' 26' ' ' LYS . 2.5 t -82.38 145.76 8.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.45 0.735 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.607 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 51.8 m-80 -100.31 142.46 31.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.433 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 43.1 tp -142.06 140.61 32.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.418 ' O ' ' HA ' ' A' ' 24' ' ' TYR . 2.0 t-20 -138.69 118.04 12.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.441 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 62.9 m -108.98 144.74 36.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 108.321 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 p -153.7 163.94 39.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 108.31 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.496 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 14.8 mtm-85 -111.86 45.9 1.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.566 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -132.68 144.22 50.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 0.0 110.386 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -61.22 140.16 57.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.403 ' HB3' ' CD2' ' A' ' 4' ' ' HIS . 13.8 mtt180 41.39 38.19 0.78 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.566 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 17.8 p -86.95 -22.58 25.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 108.284 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.476 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 20.6 p-10 -95.41 48.65 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.489 ' OXT' ' CZ ' ' A' ' 38' ' ' ARG . 20.2 p-10 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 117.005 -1.474 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 15.1 tp . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -109.03 145.31 35.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.124 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 9.3 m -136.75 136.87 39.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 108.302 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.573 ' CD2' ' HB2' ' A' ' 61' ' ' ASN . 31.4 m-70 -61.9 150.01 38.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.564 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.445 ' OD1' ' O ' ' A' ' 5' ' ' ASN . 7.7 p30 -135.31 16.91 3.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -63.18 142.12 58.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.554 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 0.1 OUTLIER -107.75 132.98 52.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.117 . . . . 0.0 110.297 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.6 m 47.77 -135.18 1.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.6 m -88.03 8.88 24.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.022 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.62 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 8.8 mm100 -58.98 170.14 0.94 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.62 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.8 Cg_exo -58.89 127.68 25.24 Favored 'Trans proline' 0 C--N 1.325 -0.692 0 C-N-CA 124.351 3.368 . . . . 0.0 109.889 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -58.92 125.37 18.0 Favored 'Trans proline' 0 C--N 1.325 -0.683 0 C-N-CA 124.326 3.351 . . . . 0.0 109.844 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.436 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.0 p -131.08 174.26 10.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.413 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -143.49 156.79 44.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.42 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -145.44 149.01 33.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.7 m -77.37 133.72 38.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.4 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 1.124 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.8 m -87.34 121.86 30.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 108.34 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.7 t -103.17 116.4 32.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.967 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.06 -9.63 24.42 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.455 1.097 . . . . 0.0 110.972 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.496 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 15.2 mt-10 -103.65 157.47 17.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 0.778 . . . . 0.0 110.277 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.5 p -136.55 15.51 3.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 110.38 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.498 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 23.7 m-80 -134.73 155.24 50.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.486 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 57.5 m -117.55 138.66 51.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 108.354 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.673 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 12.6 p90 -117.97 149.67 40.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.575 ' HE3' ' CZ3' ' A' ' 27' ' ' TRP . 15.1 ttpt -134.85 117.95 16.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.52 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 2.3 ttmp? -109.11 142.27 40.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.595 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 23.3 p90 -159.99 145.15 15.13 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.629 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 37.0 p90 -161.11 170.88 19.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 107.991 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.3 t -104.98 152.67 22.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.99 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.482 ' OD1' ' CD1' ' A' ' 28' ' ' TRP . 0.8 OUTLIER -146.17 167.0 24.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -67.33 -10.41 50.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.636 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -102.46 -28.37 12.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.3 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 154.87 -174.94 33.08 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.9 m -84.8 116.57 23.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 0.734 . . . . 0.0 110.366 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.629 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 13.5 mt -92.61 135.84 26.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 8.0 mt -129.84 123.83 57.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -127.82 114.56 17.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.461 ' NH1' ' C ' ' A' ' 61' ' ' ASN . 37.7 mtt-85 -118.05 160.95 20.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.673 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -177.31 -179.31 47.54 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.535 1.147 . . . . 0.0 111.026 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.414 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 18.7 m -84.13 151.1 25.1 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.26 -166.39 25.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.11 . . . . 0.0 110.973 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.402 ' HA ' ' HB3' ' A' ' 24' ' ' TYR . 36.8 t -144.24 73.79 15.96 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.511 ' HD2' ' CB ' ' A' ' 24' ' ' TYR . 61.5 Cg_endo -69.82 -179.35 2.88 Favored 'Trans proline' 0 C--N 1.326 -0.658 0 C-N-CA 124.219 3.279 . . . . 0.0 110.838 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.1 tttp -114.24 140.8 48.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.356 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.473 HG13 ' CE ' ' A' ' 26' ' ' LYS . 16.7 m -114.03 162.99 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.454 ' HB3' ' CD ' ' A' ' 47' ' ' PRO . 13.2 mtmt -85.82 169.92 14.34 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.454 ' CD ' ' HB3' ' A' ' 46' ' ' LYS . 51.7 Cg_exo -58.89 134.02 57.5 Favored 'Trans proline' 0 C--N 1.325 -0.707 0 C-N-CA 124.402 3.401 . . . . 0.0 109.838 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.27 -35.3 5.05 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.577 1.173 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.432 HG11 ' CG ' ' A' ' 26' ' ' LYS . 2.5 t -82.16 145.85 8.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 0.792 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.595 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 51.6 m-80 -99.66 143.92 29.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.429 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 39.2 tp -144.32 139.72 28.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.431 ' O ' ' HA ' ' A' ' 24' ' ' TYR . 26.8 t-20 -138.69 120.93 15.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.441 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 60.7 m -109.79 145.72 36.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 108.337 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 p -153.79 163.4 40.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 108.328 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.498 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 44.5 mtm180 -112.02 46.04 1.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.564 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -132.92 144.18 49.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.163 . . . . 0.0 110.408 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -61.38 140.03 58.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.9 mtt85 41.43 38.25 0.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.332 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.564 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 18.8 p -86.59 -21.36 26.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.163 . . . . 0.0 108.268 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.486 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 24.7 p-10 -94.71 44.8 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.573 ' HB2' ' CD2' ' A' ' 4' ' ' HIS . 10.1 t-20 . . . . . 0 C--O 1.25 1.127 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.248 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 13.3 tp . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -108.8 145.17 35.64 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.139 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 11.7 m -137.69 137.29 38.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 108.268 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.476 ' HA ' ' O ' ' A' ' 13' ' ' THR . 38.7 m-70 -62.64 135.39 57.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.642 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.428 ' C ' ' OD1' ' A' ' 5' ' ' ASN . 6.2 p30 -116.24 13.72 15.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.468 ' O ' ' NH1' ' A' ' 38' ' ' ARG . 3.2 pt20 -74.92 131.96 41.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.404 ' O ' ' HG2' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -108.5 154.38 22.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.316 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.7 m 54.54 -133.26 1.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.02 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.407 ' O ' ' O ' ' A' ' 10' ' ' GLN . 3.5 m -102.76 -2.07 28.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.003 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.591 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 38.0 mm-40 -44.61 169.6 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.591 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.7 Cg_exo -58.88 135.52 67.39 Favored 'Trans proline' 0 C--N 1.325 -0.683 0 C-N-CA 124.364 3.376 . . . . 0.0 109.855 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.8 Cg_exo -58.91 127.15 23.29 Favored 'Trans proline' 0 C--N 1.325 -0.703 0 C-N-CA 124.342 3.362 . . . . 0.0 109.87 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.476 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.0 p -132.59 173.42 11.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.41 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 p -145.39 158.23 43.87 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.547 1.154 . . . . 0.0 110.462 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.0 tptt -149.54 148.5 29.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.4 m -77.98 128.76 34.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.399 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 1.139 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -81.97 122.09 27.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 108.283 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 34.1 p -102.78 116.52 32.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 109.932 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.32 -10.31 22.6 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.508 1.13 . . . . 0.0 111.058 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.492 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 15.3 mt-10 -103.7 159.18 15.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 0.743 . . . . 0.0 110.278 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.0 p -138.33 15.68 2.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.381 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.501 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 23.0 m-80 -134.81 155.68 50.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.472 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 43.4 m -117.39 136.55 53.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 108.292 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.652 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 13.9 p90 -116.07 153.48 31.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.428 1.08 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.491 ' HG3' ' CD ' ' A' ' 38' ' ' ARG . 0.1 OUTLIER -140.88 117.5 10.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.539 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -109.35 143.53 38.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.24 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.587 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 25.0 p90 -160.28 144.58 14.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 108.024 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.62 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 30.0 p90 -159.62 170.58 21.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 108.021 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 61.1 m -105.14 151.74 23.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.965 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -145.61 166.5 25.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 21.1 t-160 -67.57 -9.88 46.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.585 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -102.58 -28.33 12.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 154.85 -174.9 33.07 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.8 m -86.13 116.03 24.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 0.763 . . . . 0.0 110.375 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.62 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 17.1 mt -93.08 134.86 29.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.46 HG21 ' CZ ' ' A' ' 38' ' ' ARG . 6.1 mt -129.92 127.84 64.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -131.3 113.31 13.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.326 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.491 ' CD ' ' HG3' ' A' ' 25' ' ' LYS . 20.2 mtt85 -118.02 160.32 21.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.652 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -178.12 -175.92 45.66 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.476 1.11 . . . . 0.0 111.025 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.417 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 19.8 m -85.25 151.91 23.71 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.405 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 95.64 -166.68 25.32 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.411 ' HA ' ' HB3' ' A' ' 24' ' ' TYR . 38.1 t -146.12 74.47 13.08 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.515 ' HD2' ' CB ' ' A' ' 24' ' ' TYR . 61.4 Cg_endo -69.88 -179.48 3.0 Favored 'Trans proline' 0 C--N 1.326 -0.655 0 C-N-CA 124.181 3.254 . . . . 0.0 110.809 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.8 mtpp -113.77 140.39 48.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.464 HG12 ' CD2' ' A' ' 51' ' ' LEU . 13.8 m -113.92 162.17 12.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.453 ' HB3' ' CD ' ' A' ' 47' ' ' PRO . 13.5 mtpt -85.95 170.05 13.92 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.453 ' CD ' ' HB3' ' A' ' 46' ' ' LYS . 52.0 Cg_exo -58.91 133.95 56.99 Favored 'Trans proline' 0 C--N 1.325 -0.664 0 C-N-CA 124.34 3.36 . . . . 0.0 109.861 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.17 -35.37 4.99 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.547 1.154 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.6 t -81.54 147.05 6.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.481 0.754 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.587 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 53.0 m-80 -100.74 143.75 30.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.464 ' CD2' HG12 ' A' ' 45' ' ' VAL . 24.1 tp -144.27 140.23 29.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.43 ' O ' ' HA ' ' A' ' 24' ' ' TYR . 0.5 OUTLIER -138.96 121.16 15.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.452 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 62.8 m -111.7 145.08 39.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 108.264 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.5 p -151.98 162.98 40.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 108.289 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.501 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 52.6 mtm180 -112.41 46.25 1.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.272 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.557 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -133.37 144.44 49.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.37 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -61.24 140.01 58.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.33 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.434 ' O ' ' ND2' ' A' ' 61' ' ' ASN . 19.8 mtt85 41.02 38.57 0.71 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.321 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.557 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 20.2 p -86.11 -23.43 26.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 108.301 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.473 ' O ' ' CD ' ' A' ' 38' ' ' ARG . 25.7 p-10 -95.45 48.55 1.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.457 ' O ' ' CZ ' ' A' ' 38' ' ' ARG . 15.4 m-80 . . . . . 0 C--O 1.25 1.094 0 CA-C-O 116.966 -1.493 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 12.7 tp . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -112.54 145.77 39.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.036 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 16.3 m -137.24 137.32 38.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 108.297 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.481 ' HA ' ' O ' ' A' ' 13' ' ' THR . 32.7 m-70 -60.45 141.9 55.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.575 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.438 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 4.0 p-10 -124.98 15.12 8.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.41 ' NE2' ' HA ' ' A' ' 12' ' ' PRO . 2.9 pt20 -73.8 144.46 45.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.506 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 30.6 tt0 -106.66 149.4 27.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 7' ' ' GLN . 3.2 m 38.53 -136.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.991 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 61.3 m -86.47 9.44 18.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.975 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.592 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 28.0 mm-40 -53.82 169.53 0.34 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 110.323 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.592 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.6 Cg_exo -58.91 127.08 23.04 Favored 'Trans proline' 0 C--N 1.325 -0.698 0 C-N-CA 124.298 3.332 . . . . 0.0 109.926 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.41 ' HA ' ' NE2' ' A' ' 6' ' ' GLN . 51.9 Cg_exo -58.88 120.57 8.52 Favored 'Trans proline' 0 C--N 1.325 -0.685 0 C-N-CA 124.325 3.35 . . . . 0.0 109.877 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.481 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.1 p -131.53 174.81 9.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.4 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -145.24 157.94 43.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.383 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 56.0 tttt -147.27 149.18 32.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.8 m -77.34 129.8 36.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.419 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 1.036 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -82.36 122.22 27.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 108.334 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.0 p -102.54 116.2 32.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 109.969 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.89 -10.7 24.48 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.499 1.125 . . . . 0.0 111.043 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.494 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 6.7 mt-10 -103.58 160.52 14.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 0.759 . . . . 0.0 110.281 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.7 p -139.72 15.65 2.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.368 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.502 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 23.1 m-80 -135.11 155.9 49.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.492 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 33.7 m -117.17 136.81 52.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 108.304 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.579 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 12.4 p90 -117.25 152.25 35.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 111.028 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.426 ' NZ ' ' HB3' ' A' ' 25' ' ' LYS . 3.8 ttpm? -143.97 115.9 8.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.548 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -110.15 143.22 40.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.489 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 35.0 p90 -154.32 147.4 24.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 108.006 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.61 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 28.4 p90 -159.32 169.68 23.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 108.022 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.7 p -105.42 137.99 42.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.002 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.534 ' OD1' ' CD1' ' A' ' 28' ' ' TRP . 0.9 OUTLIER -129.34 165.5 21.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 -66.25 -10.64 44.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.585 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 62.4 mtm180 -102.38 -28.32 12.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.143 . . . . 0.0 110.279 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 154.64 176.2 26.64 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.539 1.149 . . . . 0.0 110.946 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.1 m -75.7 116.48 16.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 0.768 . . . . 0.0 110.444 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.61 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 17.8 mt -93.81 136.91 24.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.484 ' O ' ' CG ' ' A' ' 7' ' ' GLN . 5.4 mt -134.95 129.2 50.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.482 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 7.8 tt0 -130.22 116.31 18.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.479 ' CZ ' ' O ' ' A' ' 61' ' ' ASN . 29.2 mtt-85 -113.4 152.68 29.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.579 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -172.77 -179.35 43.47 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.518 1.136 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.401 ' C ' ' OE1' ' A' ' 20' ' ' GLU . 22.3 m -86.22 153.31 22.11 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.41 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 96.17 -165.62 24.12 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.571 1.169 . . . . 0.0 111.02 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.425 ' HA ' ' HB3' ' A' ' 24' ' ' TYR . 38.0 t -148.0 73.88 11.13 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.545 ' HD2' ' CB ' ' A' ' 24' ' ' TYR . 61.6 Cg_endo -69.82 -178.93 2.6 Favored 'Trans proline' 0 C--N 1.325 -0.69 0 C-N-CA 124.16 3.24 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.0 tmtt? -114.89 140.86 48.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.25 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.0 m -113.76 163.47 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.436 ' HB3' ' CD ' ' A' ' 47' ' ' PRO . 24.4 mttt -85.35 169.31 16.45 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.252 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.436 ' CD ' ' HB3' ' A' ' 46' ' ' LYS . 51.7 Cg_exo -58.89 133.79 55.98 Favored 'Trans proline' 0 C--N 1.325 -0.671 0 C-N-CA 124.355 3.37 . . . . 0.0 109.885 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.12 -35.24 5.08 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.506 1.129 . . . . 0.0 110.997 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.8 t -81.6 146.05 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.537 0.786 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.548 ' O ' ' HA ' ' A' ' 26' ' ' LYS . 60.1 m-80 -98.61 147.25 25.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.5 tp -147.83 140.82 24.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.24 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.432 ' O ' ' HA ' ' A' ' 24' ' ' TYR . 1.3 t30 -138.99 122.81 17.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.46 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 68.7 m -113.39 142.64 45.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 108.275 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.5 p -150.71 163.14 39.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 108.275 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.502 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 38.5 mtm180 -111.95 45.66 1.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.565 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -132.03 144.17 50.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.132 . . . . 0.0 110.397 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -61.39 140.12 58.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.405 ' O ' ' ND2' ' A' ' 61' ' ' ASN . 15.5 mtt180 41.62 38.0 0.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.565 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 17.7 p -86.91 -22.98 25.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 108.296 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.492 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 24.7 p-10 -95.29 47.78 1.14 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.479 ' O ' ' CZ ' ' A' ' 38' ' ' ARG . 1.8 m120 . . . . . 0 C--O 1.25 1.084 0 CA-C-O 116.979 -1.486 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 13.0 tp . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -108.18 145.65 33.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.121 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 12.6 m -137.27 137.33 38.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 108.306 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.618 ' CD2' ' CB ' ' A' ' 61' ' ' ASN . 31.2 m-70 -63.23 134.9 56.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.564 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.436 ' OD1' ' C ' ' A' ' 5' ' ' ASN . 5.4 p30 -116.91 11.57 14.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.504 ' OE1' ' CZ ' ' A' ' 38' ' ' ARG . 0.2 OUTLIER -64.62 141.63 58.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.262 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.436 ' O ' ' HG2' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -106.62 156.88 18.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.248 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 7' ' ' GLN . 14.6 m 36.62 -128.67 0.14 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.004 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.9 p -97.22 1.22 49.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.99 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.568 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 36.9 mm-40 -44.42 168.26 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.256 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.568 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.8 Cg_exo -58.9 143.38 99.48 Favored 'Trans proline' 0 C--N 1.326 -0.63 0 C-N-CA 124.328 3.352 . . . . 0.0 109.865 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.7 Cg_exo -58.87 124.15 15.08 Favored 'Trans proline' 0 C--N 1.326 -0.648 0 C-N-CA 124.359 3.373 . . . . 0.0 109.881 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.493 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 1.9 p -131.1 169.33 16.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 110.404 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -146.17 158.31 43.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.368 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.43 ' HE3' ' CB ' ' A' ' 5' ' ' ASN . 8.8 ptpt -149.94 148.25 28.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.2 m -78.01 133.33 38.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 110.436 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 1.121 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.8 m -88.14 121.84 31.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 108.306 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.2 p -102.9 116.56 32.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.005 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.65 -10.13 25.85 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.502 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 7.0 mt-10 -103.52 160.16 14.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 0.762 . . . . 0.0 110.255 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.1 p -139.39 15.88 2.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.437 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.503 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 22.5 m-80 -134.72 154.94 51.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.346 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.487 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 53.0 m -117.03 137.17 52.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 108.323 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.662 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 12.2 p90 -117.2 153.31 33.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.473 ' HG2' ' CE3' ' A' ' 27' ' ' TRP . 13.3 ttpp -139.72 117.49 11.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.523 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 10.3 mtmt -109.41 140.9 42.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.582 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 28.1 p90 -158.61 144.45 16.76 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.578 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 36.5 p90 -161.39 170.97 19.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 108.017 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.1 p -103.18 153.29 20.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.975 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -146.64 166.78 25.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 42.2 m170 -67.22 -11.3 57.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.573 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.5 mmt-85 -102.58 -28.21 12.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.276 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.85 -174.88 33.79 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.5 m -84.9 112.87 20.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 0.787 . . . . 0.0 110.389 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.578 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 12.0 mt -88.48 131.49 35.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 8.6 mt -128.62 121.35 54.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 109.278 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -128.0 114.95 17.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.271 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.504 ' CZ ' ' OE1' ' A' ' 6' ' ' GLN . 11.8 mtt180 -121.79 160.65 24.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.313 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.662 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -175.89 -173.93 42.0 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.2 m -84.0 151.45 25.0 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.401 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 95.78 -166.04 24.81 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.528 1.142 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.419 ' HA ' ' HB3' ' A' ' 24' ' ' TYR . 37.3 t -145.95 74.03 13.38 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.524 ' HD2' ' CB ' ' A' ' 24' ' ' TYR . 61.5 Cg_endo -69.8 -179.52 2.99 Favored 'Trans proline' 0 C--N 1.325 -0.706 0 C-N-CA 124.225 3.283 . . . . 0.0 110.812 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -115.06 140.41 49.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.343 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.1 m -113.82 163.39 11.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.103 . . . . 0.0 109.335 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.453 ' HB3' ' CD ' ' A' ' 47' ' ' PRO . 3.5 mtmt -85.49 169.99 14.39 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.453 ' CD ' ' HB3' ' A' ' 46' ' ' LYS . 51.7 Cg_exo -58.85 133.77 55.96 Favored 'Trans proline' 0 C--N 1.325 -0.662 0 C-N-CA 124.346 3.364 . . . . 0.0 109.898 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.29 -35.13 5.17 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.535 1.147 . . . . 0.0 111.038 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.493 HG13 ' CE3' ' A' ' 28' ' ' TRP . 2.6 t -81.36 145.98 8.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.523 0.778 . . . . 0.0 109.336 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.582 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 52.5 m-80 -98.79 143.83 28.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.435 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 21.1 tp -144.43 138.96 28.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.433 ' O ' ' HA ' ' A' ' 24' ' ' TYR . 15.9 t-20 -138.39 120.78 15.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.459 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 65.0 m -111.56 145.48 39.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 108.305 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 p -152.86 163.19 40.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 108.345 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.503 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 14.1 mtm-85 -112.18 46.1 1.2 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.427 1.079 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.554 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -133.45 144.26 49.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.401 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -61.47 140.21 58.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 29.2 mtt85 41.25 38.59 0.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.554 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 19.9 p -86.38 -23.93 25.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 108.32 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.487 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 25.6 p-10 -94.31 42.97 1.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.618 ' CB ' ' CD2' ' A' ' 4' ' ' HIS . 1.6 p-10 . . . . . 0 C--O 1.251 1.132 0 CA-C-O 116.997 -1.478 . . . . 0.0 109.355 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 12.6 tp . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -108.12 145.03 34.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.087 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 16.0 m -137.16 136.94 38.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 108.299 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.631 ' CD2' ' CB ' ' A' ' 61' ' ' ASN . 30.7 m-70 -62.47 143.49 57.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.617 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.448 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 3.7 p-10 -126.4 16.27 7.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.461 ' OE1' ' NH1' ' A' ' 38' ' ' ARG . 2.6 pt20 -64.5 134.44 54.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.303 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.49 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 25.5 mm-40 -106.56 142.36 36.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.323 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.3 m 47.35 -135.48 0.97 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 110.035 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 m -94.86 20.41 8.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.998 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.605 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 33.5 mt-30 -68.15 169.74 9.33 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 110.324 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.605 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.9 Cg_exo -58.82 131.42 41.9 Favored 'Trans proline' 0 C--N 1.325 -0.702 0 C-N-CA 124.401 3.401 . . . . 0.0 109.872 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.422 ' HA ' ' NE2' ' A' ' 6' ' ' GLN . 51.7 Cg_exo -58.89 123.61 13.89 Favored 'Trans proline' 0 C--N 1.325 -0.696 0 C-N-CA 124.356 3.37 . . . . 0.0 109.876 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.448 ' CB ' ' OD1' ' A' ' 5' ' ' ASN . 2.1 p -131.82 174.53 10.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 110.396 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -143.09 157.69 44.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.401 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -147.67 149.41 32.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.6 m -77.08 136.44 38.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.163 . . . . 0.0 110.397 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 1.087 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 4.0 m -91.14 121.99 33.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 108.298 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.7 t -102.95 116.27 32.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.992 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 78.4 -11.03 26.31 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.139 . . . . 0.0 110.978 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.492 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 8.6 mt-10 -103.42 159.38 15.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 0.767 . . . . 0.0 110.263 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.1 p -139.15 15.97 2.62 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.502 1.126 . . . . 0.0 110.383 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.503 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 21.5 m-80 -134.76 154.87 51.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.482 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 38.7 m -117.02 136.44 52.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 108.306 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.69 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 13.4 p90 -115.53 152.1 33.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.574 1.171 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.544 ' HG2' ' CE3' ' A' ' 27' ' ' TRP . 25.9 ttpt -136.66 116.57 13.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.516 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 2.1 ttmm -109.66 140.57 43.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.605 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 25.5 p90 -160.45 143.15 13.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 107.985 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.593 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 37.5 p90 -158.74 170.78 21.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 108.012 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.0 t -105.09 154.18 20.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.994 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -147.96 166.44 27.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -67.38 -10.78 54.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.594 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? -102.51 -28.16 12.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 156.14 -174.85 34.0 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.1 m -88.14 114.16 24.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 0.787 . . . . 0.0 110.41 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.593 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 17.5 mt -89.57 134.14 29.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.407 ' O ' ' HA ' ' A' ' 7' ' ' GLN . 7.7 mt -128.09 121.32 55.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.403 ' O ' ' HB3' ' A' ' 26' ' ' LYS . 20.9 tt0 -129.09 113.58 15.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.267 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.528 ' NE ' ' CD ' ' A' ' 25' ' ' LYS . 61.3 mtt180 -126.84 160.36 31.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.69 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -174.76 -169.3 36.56 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.464 1.103 . . . . 0.0 110.966 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 22.7 m -84.4 150.8 25.09 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.74 -167.37 25.62 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.522 1.139 . . . . 0.0 111.049 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.403 ' HA ' ' HB3' ' A' ' 24' ' ' TYR . 37.2 t -145.81 75.19 13.27 Favored Pre-proline 0 C--N 1.325 -0.5 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.495 ' HD2' ' CB ' ' A' ' 24' ' ' TYR . 61.5 Cg_endo -69.86 179.76 3.53 Favored 'Trans proline' 0 C--N 1.326 -0.651 0 C-N-CA 124.182 3.255 . . . . 0.0 110.808 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -114.85 139.06 50.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.446 HG12 ' NZ ' ' A' ' 26' ' ' LYS . 18.5 m -114.72 164.0 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.474 ' HB3' ' CD ' ' A' ' 47' ' ' PRO . 20.3 mtmt -86.45 170.68 11.88 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.474 ' CD ' ' HB3' ' A' ' 46' ' ' LYS . 51.9 Cg_exo -58.94 134.61 61.2 Favored 'Trans proline' 0 C--N 1.324 -0.72 0 C-N-CA 124.379 3.386 . . . . 0.0 109.855 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.48 -35.35 5.03 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.5 t -80.81 144.82 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 0.764 . . . . 0.0 109.287 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.605 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 52.5 m-80 -98.63 139.18 34.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.437 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 22.2 tp -139.76 139.88 36.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.425 ' O ' ' HA ' ' A' ' 24' ' ' TYR . 5.0 t30 -138.72 117.61 12.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.468 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 70.0 m -110.32 145.06 38.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 108.305 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 p -153.04 163.36 39.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 108.27 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.503 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 40.6 mtt180 -112.35 46.18 1.2 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 110.331 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.552 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -133.7 144.27 49.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.415 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -61.37 140.05 58.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.272 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 41.18 38.91 0.82 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.552 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 20.4 p -86.48 -24.53 25.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 108.255 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.482 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 25.2 p-10 -94.37 43.23 1.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.128 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.631 ' CB ' ' CD2' ' A' ' 4' ' ' HIS . 2.3 p30 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 117.021 -1.466 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 12.5 tp . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -110.45 145.3 37.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.306 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.096 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 13.4 m -137.51 137.35 38.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 108.27 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.476 ' HA ' ' O ' ' A' ' 13' ' ' THR . 35.6 m-70 -61.82 136.56 58.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.621 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.435 ' C ' ' OD1' ' A' ' 5' ' ' ASN . 5.4 p30 -118.11 11.71 13.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 0.0 109.244 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.441 ' CD ' ' HA ' ' A' ' 12' ' ' PRO . 2.9 pt20 -72.49 142.6 48.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.578 1.174 . . . . 0.0 110.315 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.465 ' O ' ' C ' ' A' ' 8' ' ' SER . 2.4 pt20 -106.72 160.12 15.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.465 ' C ' ' O ' ' A' ' 7' ' ' GLN . 3.7 m 34.58 -135.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.989 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 10' ' ' GLN . 3.2 m -90.48 0.03 57.48 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.494 1.121 . . . . 0.0 109.991 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.57 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 38.6 mm-40 -44.26 169.2 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.57 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.6 Cg_exo -58.93 130.72 37.96 Favored 'Trans proline' 0 C--N 1.325 -0.68 0 C-N-CA 124.314 3.343 . . . . 0.0 109.89 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.441 ' HA ' ' CD ' ' A' ' 6' ' ' GLN . 51.9 Cg_exo -58.87 124.8 16.51 Favored 'Trans proline' 0 C--N 1.325 -0.677 0 C-N-CA 124.337 3.358 . . . . 0.0 109.867 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.476 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.0 p -132.79 174.09 10.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.414 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 p -145.31 158.37 43.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.4 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -149.3 148.64 29.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.4 m -77.9 129.16 35.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.391 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 1.096 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 4.0 m -81.03 122.04 26.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 108.287 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.51 116.12 31.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.974 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.43 -10.58 21.91 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.491 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 15.3 mt-10 -103.57 162.07 13.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 0.786 . . . . 0.0 110.328 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.8 p -140.95 15.58 2.28 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.488 1.117 . . . . 0.0 110.379 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.507 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 21.8 m-80 -135.06 156.25 49.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.484 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 36.4 m -117.01 136.61 52.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.163 . . . . 0.0 108.337 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.575 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 12.6 p90 -117.13 151.53 36.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.975 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.406 ' HB3' ' NZ ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -142.37 114.99 8.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.566 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 2.2 pttm -110.31 141.56 43.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.478 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 36.4 p90 -153.41 147.33 25.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 108.044 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.61 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 26.9 p90 -159.12 169.49 24.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 107.963 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.8 t -105.41 137.51 43.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -128.6 165.84 20.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 109.342 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 27.6 p-80 -66.53 -10.49 45.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.609 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.2 ttm180 -102.34 -28.36 12.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.558 1.161 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 154.67 176.17 26.63 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.7 m -75.06 116.45 15.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 0.742 . . . . 0.0 110.389 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.61 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 17.0 mt -94.72 134.26 32.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.447 HG23 ' NH1' ' A' ' 38' ' ' ARG . 5.8 mt -133.21 128.98 56.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.469 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 79.5 mm-40 -130.08 115.68 17.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.447 ' NH1' HG23 ' A' ' 36' ' ' ILE . 23.6 mtt85 -113.3 152.18 30.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.575 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -172.27 -179.19 42.98 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.524 1.14 . . . . 0.0 111.008 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.44 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 21.6 m -85.34 153.39 22.58 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.41 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 96.25 -166.13 24.27 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.483 1.115 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.429 ' HA ' ' HB3' ' A' ' 24' ' ' TYR . 39.0 t -147.96 74.07 11.14 Favored Pre-proline 0 C--N 1.326 -0.451 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.544 ' HD2' ' CB ' ' A' ' 24' ' ' TYR . 61.6 Cg_endo -69.83 -179.19 2.77 Favored 'Trans proline' 0 C--N 1.325 -0.672 0 C-N-CA 124.199 3.266 . . . . 0.0 110.851 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.3 mptt -114.59 140.45 48.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.7 m -113.75 163.45 10.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.437 ' HB3' ' CD ' ' A' ' 47' ' ' PRO . 8.6 mtpp -85.47 169.47 15.9 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.437 ' CD ' ' HB3' ' A' ' 46' ' ' LYS . 51.7 Cg_exo -58.89 133.72 55.56 Favored 'Trans proline' 0 C--N 1.325 -0.707 0 C-N-CA 124.377 3.384 . . . . 0.0 109.932 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.19 -35.26 5.07 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.8 t -81.19 145.6 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.46 0.741 . . . . 0.0 109.283 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.566 ' O ' ' HA ' ' A' ' 26' ' ' LYS . 61.1 m-80 -98.14 146.44 25.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.2 tp -147.21 140.31 25.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.421 ' O ' ' HA ' ' A' ' 24' ' ' TYR . 10.7 t30 -138.68 121.75 16.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.347 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.467 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 75.9 m -113.06 143.16 44.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 108.299 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.5 p -150.85 163.26 39.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 108.328 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.507 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 15.5 mtm-85 -112.27 45.92 1.23 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.56 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -133.0 144.34 50.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 110.402 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -61.36 140.26 58.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.567 1.167 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.7 mtt85 41.31 38.11 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.56 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 19.1 p -86.4 -23.42 26.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 108.331 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.484 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 25.5 p-10 -95.26 47.96 1.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.5 p30 . . . . . 0 C--O 1.25 1.092 0 CA-C-O 117.01 -1.471 . . . . 0.0 109.326 179.981 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.417 ' CD2' ' C ' ' A' ' 21' ' ' THR . 14.9 tp . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -108.39 144.61 35.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.334 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.091 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 13.9 m -137.18 137.06 38.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 108.283 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.509 ' CG ' ' HA ' ' A' ' 61' ' ' ASN . 31.7 m-70 -63.04 145.18 56.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.616 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.452 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 4.0 p-10 -127.46 16.6 7.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.133 . . . . 0.0 109.362 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.419 ' NE2' ' HA ' ' A' ' 12' ' ' PRO . 2.4 pt20 -64.2 135.42 56.27 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.506 1.129 . . . . 0.0 110.316 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.554 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 33.8 tt0 -106.56 141.73 37.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.26 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.7 m 45.92 -134.94 0.82 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 110.003 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.6 p -93.94 20.64 7.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 109.978 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.591 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 6.0 mm100 -68.61 169.72 10.06 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 110.262 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.591 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.5 Cg_exo -58.91 130.79 38.34 Favored 'Trans proline' 0 C--N 1.325 -0.694 0 C-N-CA 124.332 3.355 . . . . 0.0 109.878 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.419 ' HA ' ' NE2' ' A' ' 6' ' ' GLN . 51.9 Cg_exo -58.85 123.23 13.07 Favored 'Trans proline' 0 C--N 1.325 -0.705 0 C-N-CA 124.386 3.391 . . . . 0.0 109.848 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.452 ' CB ' ' OD1' ' A' ' 5' ' ' ASN . 2.1 p -131.66 174.38 10.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.084 . . . . 0.0 110.415 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -143.62 157.19 44.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.38 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -146.95 149.43 33.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.6 m -76.98 134.06 38.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.362 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 1.091 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -88.15 122.11 31.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 108.265 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.1 m -103.02 116.45 32.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.991 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.56 -10.33 24.12 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.501 1.126 . . . . 0.0 110.972 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.494 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 9.2 mt-10 -103.55 158.8 16.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 0.764 . . . . 0.0 110.266 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.417 ' C ' ' CD2' ' A' ' 1' ' ' LEU . 7.3 p -138.64 15.96 2.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.395 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.5 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 22.7 m-80 -134.99 155.15 51.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.476 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 38.7 m -117.23 136.72 52.87 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 108.316 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.669 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 13.5 p90 -116.14 152.88 32.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.112 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.541 ' CE ' ' NH1' ' A' ' 38' ' ' ARG . 29.3 tttm -138.9 116.73 11.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.54 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 11.7 ttmt -109.48 142.24 40.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.588 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 24.0 p90 -159.98 144.96 15.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 108.015 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.618 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 39.3 p90 -160.93 170.98 19.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 107.992 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 t -105.05 153.01 22.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.991 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.445 ' OD1' ' CD1' ' A' ' 28' ' ' TRP . 1.4 m-20 -146.94 166.65 26.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -67.4 -10.55 52.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.584 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -102.44 -28.22 12.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.274 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.39 -174.94 33.46 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.1 m -86.33 114.63 23.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 0.782 . . . . 0.0 110.372 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.618 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 13.6 mt -90.19 134.76 28.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.418 HG21 ' NH2' ' A' ' 38' ' ' ARG . 7.8 mt -129.45 121.21 52.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -126.48 113.79 17.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.266 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.541 ' NH1' ' CE ' ' A' ' 25' ' ' LYS . 8.4 mtt180 -124.07 160.36 27.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 110.309 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.669 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -177.35 -172.95 42.42 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.121 . . . . 0.0 111.023 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 21.8 m -83.83 151.2 25.28 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.403 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 95.44 -167.43 26.06 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.484 1.115 . . . . 0.0 110.979 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.411 ' HA ' ' HB3' ' A' ' 24' ' ' TYR . 38.3 t -145.06 74.44 14.38 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.503 ' HD2' ' CB ' ' A' ' 24' ' ' TYR . 61.9 Cg_endo -69.82 -179.59 3.04 Favored 'Trans proline' 0 C--N 1.325 -0.697 0 C-N-CA 124.243 3.295 . . . . 0.0 110.804 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -114.69 140.26 49.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.462 HG11 ' CE ' ' A' ' 26' ' ' LYS . 16.8 m -114.09 163.32 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.454 ' HB3' ' CD ' ' A' ' 47' ' ' PRO . 7.1 mtmm -85.76 170.06 14.03 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.454 ' CD ' ' HB3' ' A' ' 46' ' ' LYS . 51.6 Cg_exo -58.85 134.12 58.24 Favored 'Trans proline' 0 C--N 1.326 -0.64 0 C-N-CA 124.329 3.353 . . . . 0.0 109.865 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.13 -35.33 5.02 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.466 HG11 ' CE3' ' A' ' 28' ' ' TRP . 2.6 t -81.26 145.77 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.76 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.588 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 52.5 m-80 -98.93 143.16 29.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.431 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 28.6 tp -144.12 139.49 28.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.436 ' O ' ' HA ' ' A' ' 24' ' ' TYR . 11.8 t-20 -139.11 121.26 15.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.453 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 62.6 m -111.02 146.18 37.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 108.307 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.6 p -152.75 162.32 41.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 108.307 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.5 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 22.7 mtp85 -112.36 46.27 1.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 110.303 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.549 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -133.22 144.35 49.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.386 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -61.34 139.21 58.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.453 ' O ' ' ND2' ' A' ' 61' ' ' ASN . 16.5 mtt85 41.48 39.82 1.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.33 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.549 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 21.7 p -87.01 -24.43 24.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 108.262 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.476 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 24.5 p-10 -95.1 46.54 1.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.338 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.509 ' HA ' ' CG ' ' A' ' 4' ' ' HIS . 1.6 m120 . . . . . 0 C--O 1.25 1.092 0 CA-C-O 117.022 -1.466 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.406 ' CD2' ' C ' ' A' ' 21' ' ' THR . 13.0 tp . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -108.04 144.28 35.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.078 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 18.3 m -137.03 136.77 38.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 108.312 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.639 ' CD2' ' CB ' ' A' ' 61' ' ' ASN . 27.2 m-70 -61.18 150.4 34.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.59 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.427 ' OD1' ' O ' ' A' ' 5' ' ' ASN . 7.8 p30 -134.07 16.3 3.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.54 ' NE2' ' NH2' ' A' ' 38' ' ' ARG . 0.7 OUTLIER -64.27 135.93 56.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.153 . . . . 0.0 110.307 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.55 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 7.1 mp0 -106.36 141.31 37.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.9 m 44.79 -135.76 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.024 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.5 p -92.42 20.46 6.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.996 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.582 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 22.6 mm-40 -69.74 169.89 11.31 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.344 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.582 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 52.0 Cg_exo -58.96 128.58 28.41 Favored 'Trans proline' 0 C--N 1.325 -0.7 0 C-N-CA 124.359 3.373 . . . . 0.0 109.86 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.417 ' HA ' ' NE2' ' A' ' 6' ' ' GLN . 51.8 Cg_exo -58.9 124.03 14.81 Favored 'Trans proline' 0 C--N 1.325 -0.687 0 C-N-CA 124.358 3.372 . . . . 0.0 109.858 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.439 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.1 p -131.49 174.32 10.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.372 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -142.4 157.03 45.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.398 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -146.21 149.33 33.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.7 m -77.22 132.92 38.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.383 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 1.078 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -85.83 121.93 29.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 108.336 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.3 m -102.73 116.21 32.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 109.999 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 76.82 -10.12 20.37 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.472 1.108 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.479 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 13.1 mt-10 -103.76 159.45 15.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 0.757 . . . . 0.0 110.313 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.406 ' C ' ' CD2' ' A' ' 1' ' ' LEU . 7.3 p -138.9 16.14 2.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.371 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.505 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 21.7 m-80 -134.33 155.3 50.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.477 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 36.6 m -116.86 136.53 52.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 108.305 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.659 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 13.3 p90 -116.4 153.3 32.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.975 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.48 ' CD ' ' HD3' ' A' ' 38' ' ' ARG . 6.5 ttpm? -140.41 115.81 10.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.554 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 15.0 ttpt -109.87 142.13 41.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.583 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 28.5 p90 -159.2 144.22 15.78 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.577 ' CZ2' HG22 ' A' ' 35' ' ' ILE . 27.9 p90 -159.5 171.12 20.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 107.975 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 87.6 p -103.93 153.96 20.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.983 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -147.06 167.07 24.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.263 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.524 ' O ' ' CD2' ' A' ' 31' ' ' HIS . 9.7 t60 -67.63 -10.7 54.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 109.578 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 31.4 tpt180 -102.56 -28.28 12.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.6 -174.94 33.61 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.483 1.115 . . . . 0.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.8 m -85.24 113.75 21.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 0.785 . . . . 0.0 110.41 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.577 HG22 ' CZ2' ' A' ' 28' ' ' TRP . 10.1 mt -90.07 133.17 32.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.401 ' O ' ' HA ' ' A' ' 7' ' ' GLN . 6.5 mt -129.01 123.86 59.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.427 ' CA ' ' OE1' ' A' ' 37' ' ' GLU . 3.4 tp10 -129.85 113.94 15.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.54 ' NH2' ' NE2' ' A' ' 6' ' ' GLN . 11.6 mtm180 -123.22 160.34 26.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.27 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.659 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -176.61 -171.44 40.29 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.534 1.146 . . . . 0.0 110.953 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 21.2 m -84.66 151.6 24.35 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 96.18 -166.81 24.69 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.417 ' HA ' ' HB3' ' A' ' 24' ' ' TYR . 37.8 t -146.67 74.89 12.33 Favored Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.524 ' HD2' ' CB ' ' A' ' 24' ' ' TYR . 61.5 Cg_endo -69.8 -179.56 3.02 Favored 'Trans proline' 0 C--N 1.326 -0.639 0 C-N-CA 124.193 3.262 . . . . 0.0 110.829 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -114.5 139.85 49.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.5 m -113.88 162.87 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.44 ' HB3' ' CD ' ' A' ' 47' ' ' PRO . 25.2 mtmt -85.75 169.59 15.33 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.44 ' CD ' ' HB3' ' A' ' 46' ' ' LYS . 51.8 Cg_exo -58.84 134.05 57.81 Favored 'Trans proline' 0 C--N 1.325 -0.658 0 C-N-CA 124.359 3.372 . . . . 0.0 109.882 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.07 -35.29 5.05 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.129 . . . . 0.0 110.975 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.44 HG12 ' CD ' ' A' ' 26' ' ' LYS . 3.0 t -80.05 148.77 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 0.749 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.583 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 55.1 m-80 -101.15 142.65 32.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.446 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 27.4 tp -144.74 139.5 27.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.429 ' O ' ' HA ' ' A' ' 24' ' ' TYR . 16.5 t-20 -138.76 120.34 15.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.471 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 69.3 m -111.59 144.7 40.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 108.286 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.5 p -152.01 163.29 39.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 108.326 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.505 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 41.7 mtp180 -112.58 46.24 1.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.258 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.555 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -133.54 144.45 49.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.382 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -61.18 139.86 58.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.5 mtt180 40.93 38.91 0.73 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.555 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 20.7 p -86.0 -24.53 26.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 108.29 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.477 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 25.7 p-10 -94.0 41.85 1.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.639 ' CB ' ' CD2' ' A' ' 4' ' ' HIS . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.112 0 CA-C-O 116.99 -1.481 . . . . 0.0 109.259 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 13.3 tp . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -110.0 144.24 38.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.105 . . . . 0.0 110.279 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.142 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 10.1 m -137.56 137.55 38.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 108.27 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.542 ' CD2' ' CB ' ' A' ' 61' ' ' ASN . 29.7 m-70 -60.31 146.96 42.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.574 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.445 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 3.7 p-10 -130.94 15.38 5.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.525 ' NE2' ' NH2' ' A' ' 38' ' ' ARG . 4.6 pt20 -75.58 144.25 41.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 110.314 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.488 ' CG ' ' N ' ' A' ' 8' ' ' SER . 27.0 tt0 -106.28 159.1 16.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.265 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.488 ' N ' ' CG ' ' A' ' 7' ' ' GLN . 7.1 m 34.08 -131.5 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 110.042 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.3 m -93.56 -0.31 56.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.982 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.556 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 11.5 mt-30 -44.33 169.31 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.328 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.556 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.9 Cg_exo -58.9 126.13 20.24 Favored 'Trans proline' 0 C--N 1.325 -0.681 0 C-N-CA 124.351 3.367 . . . . 0.0 109.867 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.439 ' HA ' ' NE2' ' A' ' 6' ' ' GLN . 51.8 Cg_exo -58.86 126.2 20.47 Favored 'Trans proline' 0 C--N 1.325 -0.704 0 C-N-CA 124.363 3.375 . . . . 0.0 109.885 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.457 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.1 p -133.54 174.76 10.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.389 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 p -145.18 157.43 44.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.384 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.5 ptpt -148.09 149.27 31.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.338 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.9 m -77.22 126.92 31.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.38 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 1.142 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -79.62 122.22 26.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 108.312 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.4 t -102.43 116.56 32.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.977 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 78.88 -11.69 26.65 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.494 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 8.4 mt-10 -103.49 158.81 16.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 110.272 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.0 p -138.42 15.95 2.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 110.368 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.499 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 22.8 m-80 -135.12 155.05 51.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.447 ' O ' ' HA ' ' A' ' 53' ' ' CYS . 37.8 m -116.96 136.61 52.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 108.289 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.666 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 16.1 p90 -114.91 152.41 32.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.557 ' HG2' ' CE3' ' A' ' 27' ' ' TRP . 44.9 tttp -136.32 116.77 13.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.523 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 13.9 mtmm -109.8 140.76 43.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.6 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 24.5 p90 -160.54 144.13 13.65 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.627 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 34.1 p90 -159.87 171.14 19.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 107.982 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.9 t -104.63 154.01 20.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.979 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -147.49 166.58 26.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 37.9 m-70 -67.32 -10.6 52.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.57 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -102.55 -28.21 12.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.302 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.66 -174.93 33.65 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.529 1.143 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.2 m -85.7 113.04 21.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 0.758 . . . . 0.0 110.417 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.627 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 13.2 mt -88.69 131.95 34.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.424 ' O ' ' HA ' ' A' ' 7' ' ' GLN . 10.6 mt -126.38 123.31 63.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.443 ' OE2' ' NZ ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -132.55 114.29 14.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.525 ' NH2' ' NE2' ' A' ' 6' ' ' GLN . 12.2 mtm180 -126.64 160.61 30.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.666 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -173.22 -168.59 34.62 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.497 1.123 . . . . 0.0 111.014 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.0 m -85.41 151.33 24.07 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.403 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 95.45 -167.78 26.3 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.508 1.13 . . . . 0.0 110.966 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.414 ' HA ' ' HB3' ' A' ' 24' ' ' TYR . 36.7 t -145.25 74.18 14.21 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.5 ' HD2' ' CB ' ' A' ' 24' ' ' TYR . 61.5 Cg_endo -69.82 -179.62 3.07 Favored 'Trans proline' 0 C--N 1.325 -0.706 0 C-N-CA 124.197 3.265 . . . . 0.0 110.825 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -113.81 140.79 48.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.504 ' CG1' ' HD2' ' A' ' 26' ' ' LYS . 14.4 m -114.28 161.6 12.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.479 ' HB3' ' CD ' ' A' ' 47' ' ' PRO . 10.2 mtpp -86.28 171.13 10.89 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.479 ' CD ' ' HB3' ' A' ' 46' ' ' LYS . 51.8 Cg_exo -58.92 133.03 50.99 Favored 'Trans proline' 0 C--N 1.324 -0.726 0 C-N-CA 124.306 3.337 . . . . 0.0 109.86 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.73 -35.34 5.05 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.5 t -81.28 146.85 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.562 0.801 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.6 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 52.2 m-80 -101.49 140.93 35.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.466 ' CD2' HG12 ' A' ' 45' ' ' VAL . 19.8 tp -141.07 140.15 34.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.432 ' O ' ' HA ' ' A' ' 24' ' ' TYR . 1.5 t-20 -139.38 119.64 13.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.338 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.447 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 61.5 m -110.12 146.06 36.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 108.312 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.5 p -153.42 162.65 41.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 108.347 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.499 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 39.0 mtt-85 -112.08 45.92 1.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.56 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -132.57 144.41 50.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.406 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -61.12 139.35 58.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 40.83 39.47 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.257 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.56 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 21.2 p -86.11 -23.6 26.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 108.271 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.45 ' O ' ' NE ' ' A' ' 38' ' ' ARG . 28.1 p-10 -94.19 42.33 1.09 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.584 1.178 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.542 ' CB ' ' CD2' ' A' ' 4' ' ' HIS . 1.8 p-10 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 116.974 -1.489 . . . . 0.0 109.347 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 12.8 tp . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -110.46 145.08 38.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 110.289 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.132 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 12.1 m -137.39 137.23 38.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 108.364 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.477 ' HA ' ' O ' ' A' ' 13' ' ' THR . 36.6 m-70 -62.64 139.05 58.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.569 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.441 ' OD1' ' C ' ' A' ' 5' ' ' ASN . 4.4 p30 -120.22 9.41 11.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.45 ' O ' ' NH1' ' A' ' 38' ' ' ARG . 2.4 pt20 -67.32 141.94 56.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.452 ' O ' ' C ' ' A' ' 8' ' ' SER . 7.3 pt20 -106.66 157.43 17.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.267 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 7' ' ' GLN . 6.1 m 35.34 -133.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.997 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.3 m -91.32 -0.93 57.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.984 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.569 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 37.4 mm-40 -44.45 168.78 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.569 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.5 Cg_exo -58.82 129.33 31.63 Favored 'Trans proline' 0 C--N 1.325 -0.681 0 C-N-CA 124.362 3.375 . . . . 0.0 109.911 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.416 ' HA ' ' NE2' ' A' ' 6' ' ' GLN . 51.7 Cg_exo -58.88 125.25 17.67 Favored 'Trans proline' 0 C--N 1.325 -0.698 0 C-N-CA 124.351 3.367 . . . . 0.0 109.865 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.477 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.1 p -132.58 174.82 9.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.371 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -145.58 156.59 43.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.4 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.0 mmmt -147.15 148.84 31.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.583 1.177 . . . . 0.0 109.329 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.6 m -77.78 128.22 33.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.392 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 1.132 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -81.29 122.12 27.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 108.324 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.1 t -102.63 116.38 32.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.051 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 78.13 -10.7 26.13 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.493 1.121 . . . . 0.0 110.965 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.498 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 6.7 mt-10 -103.6 159.88 15.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 0.787 . . . . 0.0 110.307 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.1 p -139.12 15.96 2.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.412 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.504 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 21.0 m-80 -135.33 155.3 50.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.479 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 39.8 m -116.96 136.2 53.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 108.298 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.611 ' CE2' ' C ' ' A' ' 39' ' ' GLY . 16.8 p90 -115.44 153.86 30.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 111.013 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.505 ' NZ ' ' CE3' ' A' ' 27' ' ' TRP . 32.9 tttm -141.2 118.6 11.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.576 ' HE2' ' CD1' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -109.82 141.7 42.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.607 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 22.6 p90 -159.44 142.75 14.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 107.986 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.617 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 39.4 p90 -157.07 168.86 26.22 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.5 t -105.3 149.82 25.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 110.025 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -145.55 165.96 27.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 34.4 p-80 -68.0 -9.3 44.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.586 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -102.37 -28.19 12.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 154.96 -174.86 33.15 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.546 1.154 . . . . 0.0 110.967 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.0 m -89.84 113.59 25.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 0.766 . . . . 0.0 110.445 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.617 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 18.2 mt -89.89 133.64 31.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.468 HG22 ' CZ ' ' A' ' 38' ' ' ARG . 7.7 mt -129.92 123.69 57.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -128.34 114.61 17.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 110.272 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.494 ' CD ' ' HG3' ' A' ' 25' ' ' LYS . 15.1 mtt85 -118.35 160.61 21.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.257 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.611 ' C ' ' CE2' ' A' ' 24' ' ' TYR . . . -177.59 -174.26 43.79 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.404 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 21.0 m -86.71 151.72 23.16 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.405 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 95.94 -167.19 25.23 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.478 1.111 . . . . 0.0 111.024 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.437 ' HA ' ' HB3' ' A' ' 24' ' ' TYR . 39.6 t -146.61 74.67 12.44 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.499 ' HD2' ' CB ' ' A' ' 24' ' ' TYR . 61.9 Cg_endo -69.83 178.27 4.79 Favored 'Trans proline' 0 C--N 1.325 -0.666 0 C-N-CA 124.179 3.252 . . . . 0.0 110.831 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.73 142.44 44.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.553 HG12 ' CG ' ' A' ' 26' ' ' LYS . 14.5 m -118.29 163.71 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.361 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.471 ' HB3' ' CD ' ' A' ' 47' ' ' PRO . 26.7 mttp -87.05 170.49 12.03 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.471 ' CD ' ' HB3' ' A' ' 46' ' ' LYS . 51.8 Cg_exo -58.93 134.8 62.49 Favored 'Trans proline' 0 C--N 1.325 -0.671 0 C-N-CA 124.372 3.381 . . . . 0.0 109.848 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.42 -35.56 4.88 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.457 1.098 . . . . 0.0 111.013 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.5 t -81.2 144.09 11.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 0.75 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.607 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 52.3 m-80 -98.73 140.16 33.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.1 tp -138.52 141.64 39.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.428 ' O ' ' HA ' ' A' ' 24' ' ' TYR . 9.7 t30 -139.25 117.34 11.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.474 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 69.4 m -111.59 143.64 42.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.11 . . . . 0.0 108.271 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.5 p -151.94 163.24 39.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 108.264 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.504 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 39.7 mtt180 -112.32 45.83 1.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.328 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.557 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -132.8 144.39 50.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.408 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -61.39 139.87 58.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.2 mtt180 41.26 38.51 0.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.301 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.557 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 19.9 p -86.36 -23.67 26.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 108.304 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.479 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 25.7 p-10 -95.41 48.33 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.435 ' OD1' ' CE1' ' A' ' 4' ' ' HIS . 65.9 t30 . . . . . 0 C--O 1.25 1.128 0 CA-C-O 117.01 -1.472 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.451 ' CD2' ' C ' ' A' ' 21' ' ' THR . 15.5 tp . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.449 ' OE1' ' NE ' ' A' ' 58' ' ' ARG . 10.7 tt0 -109.8 148.74 30.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.27 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.168 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 10.2 m -140.39 139.91 35.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 108.33 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.559 ' CD2' ' HB2' ' A' ' 61' ' ' ASN . 35.1 m-70 -65.62 136.56 56.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.566 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.447 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 4.2 p-10 -118.85 15.27 13.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.439 ' CD ' ' HA ' ' A' ' 12' ' ' PRO . 2.3 pt20 -75.58 140.84 42.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.27 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.461 ' O ' ' C ' ' A' ' 8' ' ' SER . 29.4 mt-30 -106.89 161.92 14.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.461 ' C ' ' O ' ' A' ' 7' ' ' GLN . 4.2 m 34.74 -134.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.05 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.1 p -93.16 -0.16 57.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.947 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.543 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 2.0 mm100 -44.48 169.07 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.543 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.8 Cg_exo -58.91 128.44 27.97 Favored 'Trans proline' 0 C--N 1.326 -0.648 0 C-N-CA 124.34 3.36 . . . . 0.0 109.856 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.439 ' HA ' ' CD ' ' A' ' 6' ' ' GLN . 51.6 Cg_exo -58.93 125.57 18.58 Favored 'Trans proline' 0 C--N 1.325 -0.675 0 C-N-CA 124.32 3.347 . . . . 0.0 109.882 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.448 ' O ' ' ND1' ' A' ' 4' ' ' HIS . 2.2 p -132.8 174.24 10.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.379 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.411 ' HB ' ' CD ' ' A' ' 2' ' ' GLU . 1.5 p -140.63 158.13 44.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.399 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.4 mtmt -149.42 148.4 29.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.2 m -78.07 135.27 37.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.451 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 1.168 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -89.15 122.01 32.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 108.278 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.0 p -102.57 116.44 32.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 110.033 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.52 -11.04 20.2 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.475 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 12.0 mt-10 -103.72 156.11 18.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 0.803 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.451 ' C ' ' CD2' ' A' ' 1' ' ' LEU . 4.6 p -135.1 15.73 3.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.387 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.481 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 24.7 m-80 -135.19 154.79 51.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.487 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 39.8 m -116.64 138.0 51.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 108.252 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.611 ' CE2' ' C ' ' A' ' 39' ' ' GLY . 18.7 p90 -117.0 152.96 33.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 111.028 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -139.25 119.04 13.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.276 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.5 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 5.3 mtpp -109.33 142.15 40.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.598 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 26.2 p90 -160.14 143.78 14.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 108.032 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.628 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 32.0 p90 -160.03 170.94 20.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 107.975 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.7 p -104.79 152.39 22.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.011 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -145.86 167.04 24.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -67.12 -11.17 56.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.598 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -102.39 -28.18 12.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.342 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.34 -174.93 33.42 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.477 1.111 . . . . 0.0 111.018 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.1 m -86.35 115.46 23.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.754 . . . . 0.0 110.391 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.628 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 17.8 mt -90.79 136.98 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.445 HG23 ' NH1' ' A' ' 38' ' ' ARG . 6.9 mt -132.34 128.89 59.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -133.26 114.66 14.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.285 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.477 ' CZ ' ' OXT' ' A' ' 61' ' ' ASN . 12.7 mtt85 -115.61 160.6 19.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.611 ' C ' ' CE2' ' A' ' 24' ' ' TYR . . . -178.37 -177.35 47.0 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.535 1.147 . . . . 0.0 110.977 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.48 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 20.3 m -86.19 151.97 23.2 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.411 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 95.69 -168.04 26.15 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.447 1.092 . . . . 0.0 111.0 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.428 ' HA ' ' HB3' ' A' ' 24' ' ' TYR . 37.8 t -144.89 74.28 14.68 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.502 ' HD2' ' CB ' ' A' ' 24' ' ' TYR . 62.0 Cg_endo -69.83 -179.69 3.12 Favored 'Trans proline' 0 C--N 1.325 -0.674 0 C-N-CA 124.167 3.245 . . . . 0.0 110.847 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.5 140.61 47.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.241 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.411 HG13 ' NZ ' ' A' ' 26' ' ' LYS . 13.7 m -114.57 163.02 12.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.456 ' HB3' ' CD ' ' A' ' 47' ' ' PRO . 15.3 mtmt -86.56 170.0 13.59 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.456 ' CD ' ' HB3' ' A' ' 46' ' ' LYS . 51.9 Cg_exo -58.92 134.11 58.04 Favored 'Trans proline' 0 C--N 1.325 -0.677 0 C-N-CA 124.351 3.367 . . . . 0.0 109.828 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.49 -35.52 4.92 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.5 t -81.74 146.08 7.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.557 0.799 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.598 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 51.8 m-80 -100.21 142.69 31.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.422 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 34.9 tp -141.76 140.98 33.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.418 ' O ' ' HA ' ' A' ' 24' ' ' TYR . 3.0 t-20 -138.68 118.46 13.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 67.9 m -110.5 143.98 40.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 108.299 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.3 p -151.94 164.78 36.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 108.327 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.481 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 39.6 mtm180 -111.69 45.92 1.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.557 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.2 p -134.43 143.61 47.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 110.382 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.411 ' OD1' HD13 ' A' ' 1' ' ' LEU . 0.8 OUTLIER -62.53 141.85 58.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.449 ' NE ' ' OE1' ' A' ' 2' ' ' GLU . 18.3 mtt85 42.81 35.15 0.67 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.557 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 16.4 p -86.51 -22.78 26.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 108.295 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.487 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 20.5 p-10 -95.6 49.49 1.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.559 ' HB2' ' CD2' ' A' ' 4' ' ' HIS . 1.7 t-20 . . . . . 0 C--O 1.25 1.107 0 CA-C-O 117.015 -1.469 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 13.5 tp . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.4 mp0 -111.65 146.35 37.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.081 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 12.4 m -136.68 137.23 39.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.163 . . . . 0.0 108.252 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.536 ' CD2' ' HB2' ' A' ' 61' ' ' ASN . 34.0 m-70 -60.5 146.3 45.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.621 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.428 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 4.5 p-10 -131.3 15.08 5.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.493 ' NE2' ' HA ' ' A' ' 12' ' ' PRO . 7.5 pt20 -65.32 143.3 57.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.549 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 3.7 tp-100 -106.83 132.57 52.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.447 ' N ' ' OE1' ' A' ' 7' ' ' GLN . 14.7 m 52.47 -129.69 2.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.017 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.0 m -92.3 1.09 57.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.993 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.621 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 9.0 mm-40 -46.21 169.12 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 110.305 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.621 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.7 Cg_exo -58.97 132.95 50.4 Favored 'Trans proline' 0 C--N 1.325 -0.709 0 C-N-CA 124.348 3.366 . . . . 0.0 109.871 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.493 ' HA ' ' NE2' ' A' ' 6' ' ' GLN . 52.0 Cg_exo -58.91 122.5 11.72 Favored 'Trans proline' 0 C--N 1.325 -0.708 0 C-N-CA 124.376 3.384 . . . . 0.0 109.869 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.449 ' O ' ' ND1' ' A' ' 4' ' ' HIS . 2.0 p -132.52 172.99 11.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.37 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.409 HG21 ' NE ' ' A' ' 58' ' ' ARG . 2.0 p -145.58 157.79 43.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 110.399 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.45 149.54 34.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.4 m -77.12 132.85 39.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 110.405 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 1.081 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -87.33 121.93 30.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 108.34 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.9 t -102.86 116.28 32.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.158 . . . . 0.0 110.027 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 78.05 -10.82 25.0 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.548 1.155 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.491 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 10.3 mt-10 -103.56 156.2 17.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 0.764 . . . . 0.0 110.26 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.1 p -135.39 15.54 3.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.164 . . . . 0.0 110.359 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.492 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 24.2 m-80 -134.43 154.95 51.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 109.289 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.465 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 51.6 m -117.5 138.51 51.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 108.314 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.658 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 12.4 p90 -118.14 149.88 40.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 111.042 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.544 ' HE3' ' CZ3' ' A' ' 27' ' ' TRP . 21.6 ttpt -136.37 118.35 15.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.559 ' HE3' ' CE1' ' A' ' 24' ' ' TYR . 9.5 mttt -109.48 142.24 40.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.586 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 25.5 p90 -158.27 144.92 17.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 107.986 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.632 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 39.4 p90 -160.01 169.88 22.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 107.984 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.1 t -105.18 151.61 23.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.998 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.488 ' OD2' ' CD1' ' A' ' 35' ' ' ILE . 94.4 m-20 -145.7 166.77 24.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -67.52 -9.95 47.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.627 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -102.48 -28.41 12.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 154.84 -174.94 33.06 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.474 1.109 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.1 m -85.86 116.51 24.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 0.747 . . . . 0.0 110.422 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.632 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 15.7 mt -93.23 135.82 26.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.532 ' CG2' ' NH1' ' A' ' 38' ' ' ARG . 7.8 mt -129.92 122.7 55.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -123.93 113.85 19.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.532 ' NH1' ' CG2' ' A' ' 36' ' ' ILE . 23.8 mtt85 -116.14 160.35 20.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.658 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -178.6 179.69 48.65 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.499 1.124 . . . . 0.0 111.021 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.0 m -84.57 151.49 24.51 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.4 -165.51 25.0 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.463 1.102 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.41 ' HA ' ' HB3' ' A' ' 24' ' ' TYR . 35.2 t -144.85 73.66 14.91 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.528 ' HD2' ' CB ' ' A' ' 24' ' ' TYR . 61.6 Cg_endo -69.8 -179.24 2.79 Favored 'Trans proline' 0 C--N 1.325 -0.686 0 C-N-CA 124.223 3.282 . . . . 0.0 110.834 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.9 ptmt -114.85 140.79 48.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.9 m -113.75 163.48 10.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.261 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.452 ' HB3' ' CD ' ' A' ' 47' ' ' PRO . 15.6 mttm -85.33 169.76 15.18 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.452 ' CD ' ' HB3' ' A' ' 46' ' ' LYS . 51.6 Cg_exo -58.9 133.95 57.03 Favored 'Trans proline' 0 C--N 1.325 -0.71 0 C-N-CA 124.333 3.355 . . . . 0.0 109.873 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.18 -35.21 5.1 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.517 1.136 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.453 HG12 ' CE3' ' A' ' 28' ' ' TRP . 2.6 t -81.75 146.05 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.586 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 53.1 m-80 -99.54 144.54 28.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.413 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 25.3 tp -144.63 139.92 28.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.338 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.422 ' O ' ' HA ' ' A' ' 24' ' ' TYR . 1.6 t-20 -138.81 120.03 14.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 61.2 m -109.76 145.0 37.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 108.284 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 p -153.9 164.22 38.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 108.314 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.492 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 48.4 mtt180 -111.7 45.79 1.19 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.58 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -132.2 144.18 50.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.436 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -61.33 140.27 58.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.409 ' NE ' HG21 ' A' ' 14' ' ' THR . 24.0 mtt180 41.43 37.46 0.67 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.143 . . . . 0.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.58 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 16.7 p -86.98 -22.03 25.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 108.328 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.465 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 17.8 p-10 -95.3 48.19 1.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.536 ' HB2' ' CD2' ' A' ' 4' ' ' HIS . 12.9 t30 . . . . . 0 C--O 1.25 1.09 0 CA-C-O 116.997 -1.478 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.423 HD12 ' OD1' ' A' ' 57' ' ' ASP . 12.8 tp . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -109.72 145.89 35.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.343 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 1.14 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 11.1 m -137.71 137.27 38.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 108.334 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.561 ' CD2' ' HB3' ' A' ' 61' ' ' ASN . 35.4 m-70 -62.31 138.64 58.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.592 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.44 ' OD1' ' C ' ' A' ' 5' ' ' ASN . 4.7 p30 -120.87 10.21 10.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -68.25 141.39 55.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.455 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 2.1 mm-40 -106.63 159.07 16.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.323 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 7' ' ' GLN . 3.6 m 35.49 -135.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.988 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 10' ' ' GLN . 66.7 m -90.8 -1.04 57.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.999 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.594 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 36.1 mm-40 -44.24 168.83 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.336 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.594 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.8 Cg_exo -58.92 131.68 43.19 Favored 'Trans proline' 0 C--N 1.325 -0.699 0 C-N-CA 124.369 3.379 . . . . 0.0 109.872 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.6 Cg_exo -58.86 126.57 21.54 Favored 'Trans proline' 0 C--N 1.325 -0.669 0 C-N-CA 124.343 3.362 . . . . 0.0 109.89 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.504 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.0 p -132.85 174.47 10.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.419 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.437 HG21 ' NE ' ' A' ' 58' ' ' ARG . 2.2 p -145.52 157.85 43.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.168 . . . . 0.0 110.41 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.411 ' HD3' ' N ' ' A' ' 16' ' ' THR . 6.3 tmtt? -149.0 148.93 30.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.411 ' N ' ' HD3' ' A' ' 15' ' ' LYS . 3.7 m -77.62 132.9 38.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.407 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 1.14 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -87.04 121.9 30.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 108.312 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.6 t -102.91 116.49 32.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 109.96 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 78.81 -11.11 28.76 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.498 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 14.9 mt-10 -103.33 159.88 15.18 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.52 0.776 . . . . 0.0 110.254 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.2 p -138.91 15.46 2.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 110.44 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.501 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 22.8 m-80 -134.92 155.12 51.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.478 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 52.8 m -117.2 137.18 52.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 108.348 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.657 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 12.5 p90 -116.9 152.91 33.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.468 ' HG2' ' CE3' ' A' ' 27' ' ' TRP . 20.4 ttpp -139.44 117.9 12.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.57 ' HG2' HD13 ' A' ' 51' ' ' LEU . 8.3 mtmt -109.3 141.76 41.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.579 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 27.9 p90 -159.3 144.83 16.01 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.642 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 37.9 p90 -160.43 170.09 21.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 107.97 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.4 m -104.97 153.72 21.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 109.986 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.492 ' OD2' ' CD1' ' A' ' 35' ' ' ILE . 87.6 m-20 -147.93 166.94 26.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 31.1 m80 -67.19 -10.59 52.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.639 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.8 ttp85 -102.4 -28.17 12.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.12 -174.92 33.26 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.48 1.113 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.5 m -87.11 114.27 23.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 0.79 . . . . 0.0 110.398 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.642 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 15.6 mt -89.85 134.61 28.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.536 HG23 ' HB3' ' A' ' 27' ' ' TRP . 8.0 mt -130.14 124.18 57.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.432 ' HB3' ' CE ' ' A' ' 26' ' ' LYS . 35.1 tp10 -129.44 114.49 16.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.454 ' NH1' ' C ' ' A' ' 61' ' ' ASN . 50.5 mtt180 -119.73 160.43 22.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.657 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -176.73 -176.05 44.56 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.522 1.139 . . . . 0.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.0 m -84.21 151.58 24.75 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.68 -165.9 24.87 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.527 1.142 . . . . 0.0 110.959 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 36.9 t -145.93 74.03 13.4 Favored Pre-proline 0 C--N 1.325 -0.461 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.631 ' O ' HD21 ' A' ' 51' ' ' LEU . 61.5 Cg_endo -69.81 -179.49 2.97 Favored 'Trans proline' 0 C--N 1.325 -0.694 0 C-N-CA 124.173 3.249 . . . . 0.0 110.831 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.2 tptp -114.87 140.51 48.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.802 HG13 HD22 ' A' ' 51' ' ' LEU . 18.2 m -113.89 163.41 11.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.471 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 21.3 mttp -85.5 169.92 14.59 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.471 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 52.0 Cg_exo -58.94 133.76 55.72 Favored 'Trans proline' 0 C--N 1.324 -0.731 0 C-N-CA 124.382 3.388 . . . . 0.0 109.834 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.39 -35.24 5.1 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.506 1.128 . . . . 0.0 111.025 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.462 HG13 ' CE3' ' A' ' 28' ' ' TRP . 2.5 t -81.47 145.86 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 0.759 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.579 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 51.9 m-80 -98.91 143.75 28.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.802 HD22 HG13 ' A' ' 45' ' ' VAL . 21.7 tp -144.14 139.28 28.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.565 ' H ' HD12 ' A' ' 51' ' ' LEU . 8.3 t30 -138.4 120.49 15.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.362 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.459 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 65.8 m -111.36 145.06 39.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 108.28 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 p -153.33 163.78 39.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 108.257 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.501 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 31.2 mtp180 -111.95 45.76 1.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.133 . . . . 0.0 110.34 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.565 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -132.38 144.27 50.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.414 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.423 ' OD1' HD12 ' A' ' 1' ' ' LEU . 19.6 m-20 -61.4 139.82 58.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.437 ' NE ' HG21 ' A' ' 14' ' ' THR . 20.0 mtt180 41.53 38.56 0.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.565 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 18.6 p -87.12 -23.08 24.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 108.316 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.478 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 22.2 p-10 -95.1 46.79 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.561 ' HB3' ' CD2' ' A' ' 4' ' ' HIS . 3.2 p30 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 116.992 -1.48 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.427 HD12 ' OD1' ' A' ' 57' ' ' ASP . 12.8 tp . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -109.04 144.65 36.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 110.273 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 1.149 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 10.9 m -137.48 137.2 38.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 108.288 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.51 ' HA ' ' O ' ' A' ' 13' ' ' THR . 37.7 m-70 -62.89 139.76 58.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.626 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.592 ' ND2' ' C ' ' A' ' 5' ' ' ASN . 0.1 OUTLIER -121.22 9.52 10.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.72 139.28 57.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.33 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.453 ' O ' ' C ' ' A' ' 8' ' ' SER . 0.6 OUTLIER -106.33 161.53 14.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 7' ' ' GLN . 6.6 m 35.04 -132.4 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.977 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.5 m -95.06 -1.03 53.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.991 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.565 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 2.7 mt-30 -44.7 168.86 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 110.318 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.565 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.8 Cg_exo -58.94 130.6 37.39 Favored 'Trans proline' 0 C--N 1.325 -0.705 0 C-N-CA 124.341 3.36 . . . . 0.0 109.855 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.8 Cg_exo -58.92 126.79 22.14 Favored 'Trans proline' 0 C--N 1.325 -0.683 0 C-N-CA 124.357 3.372 . . . . 0.0 109.914 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.51 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.0 p -132.66 174.71 10.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.406 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 p -145.5 156.48 43.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 110.429 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.3 mtpt -147.43 149.26 32.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.444 1.09 . . . . 0.0 109.328 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.6 m -77.35 130.95 37.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.413 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 1.149 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.8 m -85.62 121.94 29.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 108.269 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.5 t -103.3 116.9 33.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.007 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 79.42 -10.88 34.17 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.484 1.115 . . . . 0.0 110.954 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.507 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 5.1 mt-10 -103.08 161.2 13.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 0.742 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.6 p -140.53 15.34 2.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.381 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.499 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 22.8 m-80 -135.64 154.89 51.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.489 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 51.5 m -117.38 138.28 51.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 108.286 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.677 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 12.1 p90 -117.96 153.33 33.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.093 . . . . 0.0 111.001 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.558 ' HE3' ' CZ3' ' A' ' 27' ' ' TRP . 17.5 ttpt -139.7 117.68 11.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.621 ' HG2' HD13 ' A' ' 51' ' ' LEU . 12.9 mtmt -109.36 142.75 39.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.57 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 24.3 p90 -160.12 144.38 14.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 108.011 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.625 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 35.3 p90 -162.13 171.02 18.12 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.9 t -102.66 153.18 20.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -146.36 166.46 26.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 15.1 p-80 -66.77 -11.3 54.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.608 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 64.1 mtt180 -102.47 -28.15 12.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.301 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.21 -174.92 33.33 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.2 m -82.92 113.13 20.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 0.794 . . . . 0.0 110.358 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.625 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 11.2 mt -88.81 131.51 36.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.514 HG21 HH21 ' A' ' 38' ' ' ARG . 11.1 mt -126.66 122.4 60.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.396 1.06 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 65.5 tt0 -129.08 114.3 16.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.271 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.514 HH21 HG21 ' A' ' 36' ' ' ILE . 45.8 mtt180 -124.98 161.0 27.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.677 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -176.15 -172.68 41.12 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.567 1.167 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.7 m -84.0 150.95 25.29 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.5 -165.67 24.97 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 35.8 t -145.4 74.34 13.99 Favored Pre-proline 0 C--N 1.325 -0.465 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.651 ' O ' HD21 ' A' ' 51' ' ' LEU . 61.6 Cg_endo -69.81 -179.14 2.73 Favored 'Trans proline' 0 C--N 1.325 -0.686 0 C-N-CA 124.205 3.27 . . . . 0.0 110.846 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.95 140.97 48.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.254 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.813 HG13 HD22 ' A' ' 51' ' ' LEU . 17.0 m -113.67 162.32 11.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.472 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 29.3 mtmt -85.61 170.38 13.21 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.472 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 51.7 Cg_exo -58.83 133.21 52.37 Favored 'Trans proline' 0 C--N 1.325 -0.674 0 C-N-CA 124.359 3.373 . . . . 0.0 109.855 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.39 -35.24 5.1 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.527 1.142 . . . . 0.0 110.983 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.528 HG13 ' CE3' ' A' ' 28' ' ' TRP . 2.6 t -81.49 147.21 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 0.749 . . . . 0.0 109.257 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.57 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 53.0 m-80 -100.78 144.33 29.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.337 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.813 HD22 HG13 ' A' ' 45' ' ' VAL . 18.1 tp -144.49 139.76 28.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.633 ' H ' HD12 ' A' ' 51' ' ' LEU . 7.5 t30 -138.72 120.44 15.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.469 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 63.2 m -111.16 146.1 37.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 108.265 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 p -153.97 163.89 39.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 108.299 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.499 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 16.2 mtt85 -112.06 46.05 1.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.33 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.565 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -133.04 144.48 50.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.351 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.427 ' OD1' HD12 ' A' ' 1' ' ' LEU . 19.5 m-20 -61.19 140.19 57.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.2 mtt180 41.02 38.24 0.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.306 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.565 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 18.9 p -86.33 -21.68 27.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 108.294 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.489 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 25.6 p-10 -95.18 47.26 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.448 ' OXT' ' NH1' ' A' ' 38' ' ' ARG . 52.7 t30 . . . . . 0 C--O 1.25 1.125 0 CA-C-O 117.003 -1.475 . . . . 0.0 109.326 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.423 HD12 ' OD1' ' A' ' 57' ' ' ASP . 13.2 tp . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -111.05 145.62 38.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 1.178 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 10.0 m -137.39 137.45 38.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 0.0 108.305 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.506 ' HA ' ' O ' ' A' ' 13' ' ' THR . 37.0 m-70 -62.64 139.96 58.67 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 109.621 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.592 ' ND2' ' C ' ' A' ' 5' ' ' ASN . 0.1 OUTLIER -121.62 9.41 10.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.448 ' O ' ' NH1' ' A' ' 38' ' ' ARG . 2.1 pt20 -66.78 140.89 57.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.442 ' O ' ' C ' ' A' ' 8' ' ' SER . 23.4 mp0 -106.31 156.74 18.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.284 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 7' ' ' GLN . 5.5 m 36.04 -133.41 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.03 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.9 m -91.33 -1.29 57.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.598 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 10.4 mm100 -44.47 168.71 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.598 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.7 Cg_exo -58.95 128.98 29.85 Favored 'Trans proline' 0 C--N 1.325 -0.7 0 C-N-CA 124.329 3.353 . . . . 0.0 109.877 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.7 Cg_exo -58.93 125.48 18.32 Favored 'Trans proline' 0 C--N 1.324 -0.717 0 C-N-CA 124.344 3.363 . . . . 0.0 109.862 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.506 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.0 p -132.48 174.85 9.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.41 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -145.3 156.76 44.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.405 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.5 mttt -146.93 149.06 32.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.7 m -77.71 127.71 32.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 110.405 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 1.178 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -81.2 122.03 26.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 0.0 108.285 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.9 p -102.66 116.63 32.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.59 1.181 . . . . 0.0 110.004 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 78.35 -11.34 24.7 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.565 1.166 . . . . 0.0 110.993 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.487 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 10.2 mt-10 -103.49 156.57 17.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.272 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.9 p -135.65 15.76 3.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.377 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.499 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 23.1 m-80 -134.98 155.03 51.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.476 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 52.0 m -117.32 137.6 52.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 108.297 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.659 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 12.7 p90 -117.26 153.19 33.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.479 ' HG3' ' CD ' ' A' ' 38' ' ' ARG . 24.1 ttpt -140.39 117.62 11.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.594 ' HG2' HD13 ' A' ' 51' ' ' LEU . 6.9 mttt -109.26 142.63 39.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.583 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 25.4 p90 -159.29 144.67 15.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 108.002 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.626 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 36.6 p90 -161.3 171.03 19.05 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 96.9 p -103.82 152.98 21.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.014 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -146.57 166.97 24.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -67.28 -11.07 56.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.585 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.0 mmm-85 -102.37 -28.13 12.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.07 -174.99 33.22 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.486 1.116 . . . . 0.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.8 m -84.24 113.61 21.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 0.758 . . . . 0.0 110.432 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.626 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 13.5 mt -89.3 132.69 33.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.519 HG23 ' HB3' ' A' ' 27' ' ' TRP . 8.1 mt -128.99 122.64 57.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -126.87 114.31 17.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.326 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.479 ' CD ' ' HG3' ' A' ' 25' ' ' LYS . 12.7 mtt85 -118.99 160.74 21.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.659 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -177.99 -176.25 45.81 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.469 1.105 . . . . 0.0 111.025 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.434 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 19.0 m -85.04 152.02 23.74 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.402 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 95.62 -165.63 24.79 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 37.3 t -145.98 73.47 13.46 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.628 ' O ' HD21 ' A' ' 51' ' ' LEU . 61.8 Cg_endo -69.79 -179.28 2.81 Favored 'Trans proline' 0 C--N 1.325 -0.669 0 C-N-CA 124.188 3.259 . . . . 0.0 110.83 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.0 140.63 48.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.788 HG13 HD22 ' A' ' 51' ' ' LEU . 18.7 m -113.74 163.56 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.468 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 22.5 mtpt -85.44 169.78 15.03 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.468 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 51.8 Cg_exo -58.86 133.88 56.65 Favored 'Trans proline' 0 C--N 1.325 -0.677 0 C-N-CA 124.402 3.401 . . . . 0.0 109.845 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.2 -35.15 5.15 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.523 1.139 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.502 HG13 ' CE3' ' A' ' 28' ' ' TRP . 2.6 t -81.63 146.26 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.56 0.8 . . . . 0.0 109.327 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.583 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 52.7 m-80 -99.22 144.85 27.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.788 HD22 HG13 ' A' ' 45' ' ' VAL . 22.4 tp -145.15 139.66 27.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.576 ' H ' HD12 ' A' ' 51' ' ' LEU . 2.1 t30 -138.74 120.92 15.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.359 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.466 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 63.6 m -111.37 145.25 39.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 108.275 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 p -152.98 163.72 39.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 108.32 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.499 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 14.3 mtm-85 -112.2 46.06 1.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.337 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.568 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -133.02 144.26 49.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.398 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.423 ' OD1' HD12 ' A' ' 1' ' ' LEU . 20.2 m-20 -61.26 140.39 57.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.1 mtt180 41.1 37.82 0.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.568 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 18.1 p -86.37 -23.31 26.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 0.0 108.325 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.476 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 19.4 p-10 -95.47 48.81 1.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 . . . . . 0 C--O 1.25 1.127 0 CA-C-O 116.989 -1.482 . . . . 0.0 109.317 179.973 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.423 HD12 ' OD1' ' A' ' 57' ' ' ASP . 13.1 tp . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 33.8 mp0 -111.08 145.68 38.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 1.154 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 10.5 m -137.57 137.55 38.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 108.311 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.504 ' HA ' ' O ' ' A' ' 13' ' ' THR . 37.3 m-70 -62.94 136.96 58.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.584 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.441 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 4.4 p-10 -119.61 15.11 12.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.26 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.451 ' O ' ' NH1' ' A' ' 38' ' ' ARG . 2.0 pt20 -72.83 141.65 48.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.5 ' CG ' ' N ' ' A' ' 8' ' ' SER . 21.2 tt0 -106.61 159.41 16.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.5 ' N ' ' CG ' ' A' ' 7' ' ' GLN . 4.9 m 34.81 -133.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.999 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.9 p -92.58 -0.69 57.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.013 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.585 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 2.3 mm100 -44.42 169.15 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.585 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.8 Cg_exo -58.93 128.06 26.58 Favored 'Trans proline' 0 C--N 1.324 -0.726 0 C-N-CA 124.395 3.396 . . . . 0.0 109.856 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.9 Cg_exo -58.85 125.69 18.97 Favored 'Trans proline' 0 C--N 1.325 -0.682 0 C-N-CA 124.339 3.36 . . . . 0.0 109.874 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.504 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.1 p -132.7 175.11 9.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.41 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 p -144.26 157.86 44.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.411 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.7 tptt -148.79 149.07 30.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.347 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.6 m -77.44 130.07 36.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.415 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 1.154 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -83.7 122.13 28.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 108.279 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 89.7 p -102.82 116.62 32.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.965 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 78.87 -11.21 28.78 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.502 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 5.7 mt-10 -103.35 159.4 15.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 0.754 . . . . 0.0 110.296 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.1 p -138.53 15.51 2.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.407 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.501 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 23.0 m-80 -135.46 155.14 51.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.477 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 50.5 m -117.26 137.47 52.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 108.293 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.641 ' HB2' HD11 ' A' ' 51' ' ' LEU . 16.9 p90 -117.79 153.32 33.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.975 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.489 ' HG3' ' CD ' ' A' ' 38' ' ' ARG . 36.9 tttm -140.77 118.72 11.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.565 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 0.2 OUTLIER -110.14 143.31 40.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.58 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 25.7 p90 -159.53 144.74 15.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 108.029 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.619 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 34.1 p90 -161.7 171.09 18.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 107.983 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 94.8 p -103.43 152.59 21.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.95 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.418 ' OD1' ' CD1' ' A' ' 28' ' ' TRP . 1.4 m-20 -145.93 166.99 24.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.353 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 41.1 p-80 -67.08 -11.19 56.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.544 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -102.43 -28.23 12.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 110.333 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.0 -175.05 33.15 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.12 . . . . 0.0 111.001 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.1 m -83.61 113.81 21.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.767 . . . . 0.0 110.411 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.619 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 13.7 mt -89.42 132.84 33.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.47 HG23 ' HB3' ' A' ' 27' ' ' TRP . 8.7 mt -128.6 123.52 59.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -128.03 114.32 16.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 110.333 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.489 ' CD ' ' HG3' ' A' ' 25' ' ' LYS . 12.3 mtt85 -119.49 160.86 21.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.262 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.635 ' C ' ' CE2' ' A' ' 24' ' ' TYR . . . -178.39 -175.86 45.84 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.545 1.153 . . . . 0.0 110.985 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.418 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 20.4 m -85.24 151.94 23.7 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.403 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 95.73 -166.37 25.05 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.13 . . . . 0.0 111.034 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.42 ' HA ' ' HB3' ' A' ' 24' ' ' TYR . 37.3 t -145.29 73.76 14.25 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.642 ' O ' HD21 ' A' ' 51' ' ' LEU . 61.5 Cg_endo -69.75 -179.44 2.91 Favored 'Trans proline' 0 C--N 1.324 -0.711 0 C-N-CA 124.199 3.266 . . . . 0.0 110.874 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.0 ptpt -115.28 140.74 48.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.797 HG13 HD22 ' A' ' 51' ' ' LEU . 18.3 m -113.93 163.54 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.473 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 28.8 mtpt -85.59 169.96 14.41 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.341 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.473 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 51.7 Cg_exo -58.88 133.77 55.89 Favored 'Trans proline' 0 C--N 1.324 -0.714 0 C-N-CA 124.422 3.414 . . . . 0.0 109.876 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.36 -35.27 5.08 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.522 1.139 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.458 HG13 ' CE3' ' A' ' 28' ' ' TRP . 2.6 t -81.5 146.7 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 0.76 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.58 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 53.1 m-80 -99.86 144.34 29.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.256 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.797 HD22 HG13 ' A' ' 45' ' ' VAL . 27.0 tp -145.21 139.77 27.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.55 ' H ' HD12 ' A' ' 51' ' ' LEU . 3.2 t-20 -139.04 121.75 16.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 62.2 m -111.89 145.86 38.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 108.269 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 p -153.46 163.6 39.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 108.28 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.501 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 39.5 mtt180 -112.12 45.96 1.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 110.284 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.567 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -132.73 144.31 50.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.416 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.423 ' OD1' HD12 ' A' ' 1' ' ' LEU . 19.9 m-20 -61.37 140.24 58.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.401 ' O ' ' ND2' ' A' ' 61' ' ' ASN . 14.7 mtt180 41.3 37.81 0.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.567 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 18.1 p -86.4 -23.33 26.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 108.299 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.477 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 19.1 p-10 -95.49 49.11 1.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.455 ' O ' ' CZ ' ' A' ' 38' ' ' ARG . 1.6 m120 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 117.045 -1.455 . . . . 0.0 109.34 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.421 HD12 ' OD1' ' A' ' 57' ' ' ASP . 13.1 tp . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -110.44 145.55 37.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 110.291 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 1.168 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 10.7 m -137.38 137.35 38.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 108.293 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.509 ' HA ' ' O ' ' A' ' 13' ' ' THR . 37.7 m-70 -62.86 139.18 58.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.599 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.441 ' OD1' ' C ' ' A' ' 5' ' ' ASN . 4.6 p30 -120.99 10.31 10.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.448 ' O ' ' NH1' ' A' ' 38' ' ' ARG . 2.1 pt20 -67.28 141.21 57.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.491 ' CG ' ' N ' ' A' ' 8' ' ' SER . 22.8 tt0 -106.56 159.01 16.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.491 ' N ' ' CG ' ' A' ' 7' ' ' GLN . 5.7 m 34.66 -133.06 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.036 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.3 m -92.64 -1.39 56.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 110.016 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.579 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 2.1 mm100 -44.44 169.14 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.282 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.579 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.7 Cg_exo -58.99 129.47 32.07 Favored 'Trans proline' 0 C--N 1.325 -0.69 0 C-N-CA 124.322 3.348 . . . . 0.0 109.883 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.9 Cg_exo -58.86 126.41 21.08 Favored 'Trans proline' 0 C--N 1.325 -0.699 0 C-N-CA 124.349 3.366 . . . . 0.0 109.856 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.509 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.0 p -132.42 175.13 9.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.383 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -145.19 157.31 44.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 110.372 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.6 tptt -147.81 148.76 31.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.5 m -77.76 128.76 34.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 0.0 110.364 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 1.168 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -82.14 122.08 27.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 108.277 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 m -102.53 116.54 32.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.038 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.73 -10.9 22.34 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.537 1.148 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.484 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 10.8 mt-10 -103.69 157.08 17.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.777 . . . . 0.0 110.318 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.2 p -136.19 15.9 3.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.083 . . . . 0.0 110.426 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.499 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 22.3 m-80 -134.97 155.19 51.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.481 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 46.2 m -117.54 136.83 52.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 108.296 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.686 ' HB2' HD11 ' A' ' 51' ' ' LEU . 13.0 p90 -116.1 151.21 36.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.473 ' HG3' ' CD ' ' A' ' 38' ' ' ARG . 5.7 ttpm? -136.19 117.14 14.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.582 ' HD2' ' CZ3' ' A' ' 28' ' ' TRP . 2.2 ttmm -108.98 141.67 40.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.611 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 22.8 p90 -160.62 143.63 13.21 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.59 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 29.0 p90 -159.7 171.13 20.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 108.032 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 84.6 p -104.43 152.85 21.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.964 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -146.45 166.96 24.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.4 ' N ' ' ND1' ' A' ' 31' ' ' HIS . 1.0 OUTLIER -67.5 -10.41 51.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.613 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -102.51 -28.18 12.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.313 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.11 -174.88 33.26 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.482 1.114 . . . . 0.0 111.019 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.1 m -85.23 113.37 21.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 110.399 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.59 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 13.6 mt -89.87 132.91 33.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.49 HG23 ' HB3' ' A' ' 27' ' ' TRP . 9.1 mt -127.96 124.19 62.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -128.87 114.24 16.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.334 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.474 ' CD ' ' O ' ' A' ' 60' ' ' ASN . 13.5 mtt85 -119.02 160.78 21.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.655 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -177.45 -177.07 46.04 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.525 1.141 . . . . 0.0 111.014 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.451 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 19.0 m -84.34 151.97 24.4 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.415 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 95.62 -166.98 25.5 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.529 1.143 . . . . 0.0 110.933 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 37.6 t -145.91 74.28 13.37 Favored Pre-proline 0 C--N 1.326 -0.431 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.573 ' O ' HD21 ' A' ' 51' ' ' LEU . 61.6 Cg_endo -69.86 178.28 4.79 Favored 'Trans proline' 0 C--N 1.325 -0.67 0 C-N-CA 124.169 3.246 . . . . 0.0 110.798 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.05 139.77 46.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.859 HG13 HD22 ' A' ' 51' ' ' LEU . 11.8 m -114.77 161.97 13.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.477 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 12.9 mtpp -86.72 170.28 12.78 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.477 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 51.8 Cg_exo -58.95 134.58 61.03 Favored 'Trans proline' 0 C--N 1.325 -0.675 0 C-N-CA 124.319 3.346 . . . . 0.0 109.877 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.28 -35.46 4.94 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.509 HG11 ' HD3' ' A' ' 26' ' ' LYS . 2.5 t -82.0 145.56 8.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.495 0.762 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.611 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 52.4 m-80 -99.78 141.48 32.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.859 HD22 HG13 ' A' ' 45' ' ' VAL . 36.0 tp -141.74 140.39 33.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.497 ' H ' HD12 ' A' ' 51' ' ' LEU . 12.2 t-20 -138.66 118.13 12.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 64.4 m -109.86 145.36 36.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 108.306 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 p -153.48 163.4 40.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 108.331 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.499 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 24.1 mtp180 -112.21 46.13 1.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.561 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -133.37 144.33 49.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 110.398 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.421 ' OD1' HD12 ' A' ' 1' ' ' LEU . 20.1 m-20 -61.26 140.41 57.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.545 ' O ' ' ND2' ' A' ' 61' ' ' ASN . 24.1 mtt180 40.98 38.06 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.561 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 19.2 p -86.17 -23.4 26.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 108.328 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.481 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 23.7 p-10 -95.44 48.7 1.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.545 ' ND2' ' O ' ' A' ' 58' ' ' ARG . 6.2 m120 . . . . . 0 C--O 1.25 1.124 0 CA-C-O 116.971 -1.49 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.423 HD12 ' OD1' ' A' ' 57' ' ' ASP . 13.0 tp . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -111.49 146.09 37.88 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.49 1.119 . . . . 0.0 110.256 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 1.154 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 11.0 m -137.16 137.53 39.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 108.241 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.55 ' CD2' ' HB3' ' A' ' 61' ' ' ASN . 36.5 m-70 -62.21 136.36 57.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.609 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.44 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 4.8 p-10 -119.59 14.93 12.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.413 ' CD ' ' HA ' ' A' ' 12' ' ' PRO . 2.6 pt20 -75.0 142.11 43.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.459 ' O ' ' C ' ' A' ' 8' ' ' SER . 0.3 OUTLIER -106.7 160.16 15.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.11 . . . . 0.0 110.263 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.459 ' C ' ' O ' ' A' ' 7' ' ' GLN . 3.7 m 35.11 -135.21 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.017 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 10' ' ' GLN . 75.3 p -91.41 0.06 57.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.969 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.598 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 37.4 mm-40 -44.28 169.13 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 110.277 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.598 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 52.0 Cg_exo -58.93 128.8 29.23 Favored 'Trans proline' 0 C--N 1.325 -0.685 0 C-N-CA 124.35 3.367 . . . . 0.0 109.813 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.6 Cg_exo -58.85 124.59 16.07 Favored 'Trans proline' 0 C--N 1.325 -0.703 0 C-N-CA 124.377 3.384 . . . . 0.0 109.906 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.493 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.1 p -132.79 174.3 10.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 110.407 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.443 HG21 ' NE ' ' A' ' 58' ' ' ARG . 2.2 p -144.82 158.07 43.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.406 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.7 ttmt -148.09 148.98 31.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.9 m -77.53 128.85 34.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 110.367 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 1.154 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -82.2 122.24 27.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 108.347 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.5 p -102.53 116.49 32.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 110.001 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 78.39 -11.45 24.51 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.518 1.136 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.489 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 9.9 mt-10 -103.53 157.39 17.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 110.277 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.3 p -136.56 15.79 3.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.417 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.499 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 22.9 m-80 -135.15 154.87 51.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.48 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 50.9 m -117.09 137.63 52.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 108.293 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.663 ' HB2' HD11 ' A' ' 51' ' ' LEU . 12.9 p90 -117.39 150.77 38.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.443 ' HE2' ' CZ3' ' A' ' 27' ' ' TRP . 3.4 ttpm? -137.25 116.48 12.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.636 ' CE ' HG11 ' A' ' 49' ' ' VAL . 27.4 tttt -109.36 143.18 39.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.592 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 26.7 p90 -159.36 144.32 15.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 107.958 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.615 ' CH2' HG22 ' A' ' 35' ' ' ILE . 18.3 p90 -159.16 171.11 20.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 107.983 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.7 p -103.77 152.51 21.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 110.036 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -144.81 167.02 23.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -67.08 -10.55 51.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.636 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 57.2 mtp180 -102.44 -28.25 12.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.279 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 154.86 -175.12 33.02 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.501 1.126 . . . . 0.0 110.963 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.4 m -82.68 115.04 21.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 0.778 . . . . 0.0 110.377 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.615 HG22 ' CH2' ' A' ' 28' ' ' TRP . 14.6 mt -92.74 134.54 30.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.582 HG23 ' HB3' ' A' ' 27' ' ' TRP . 7.1 mt -129.5 127.11 64.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -130.23 114.44 15.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.278 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.414 ' HD3' ' O ' ' A' ' 60' ' ' ASN . 11.0 mtt85 -116.53 160.84 20.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.645 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -177.82 -178.85 47.66 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.531 1.144 . . . . 0.0 110.999 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.448 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 19.4 m -84.44 152.31 24.08 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.7 -165.63 24.69 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.535 1.147 . . . . 0.0 111.007 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 36.9 t -146.11 73.74 13.24 Favored Pre-proline 0 C--N 1.324 -0.506 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.622 ' O ' HD21 ' A' ' 51' ' ' LEU . 62.1 Cg_endo -69.78 -179.21 2.76 Favored 'Trans proline' 0 C--N 1.325 -0.682 0 C-N-CA 124.174 3.25 . . . . 0.0 110.862 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -114.96 140.74 48.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.788 HG13 HD22 ' A' ' 51' ' ' LEU . 18.9 m -113.78 163.76 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.468 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 2.0 mtmp? -85.25 169.53 15.9 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.468 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 52.0 Cg_exo -59.01 133.52 53.97 Favored 'Trans proline' 0 C--N 1.325 -0.665 0 C-N-CA 124.358 3.372 . . . . 0.0 109.846 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.14 -35.26 5.07 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.472 1.107 . . . . 0.0 111.046 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.636 HG11 ' CE ' ' A' ' 26' ' ' LYS . 3.9 t -79.61 149.11 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.592 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 55.1 m-80 -101.86 143.43 31.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.788 HD22 HG13 ' A' ' 45' ' ' VAL . 29.3 tp -145.37 139.73 27.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.529 ' H ' HD12 ' A' ' 51' ' ' LEU . 6.1 t-20 -138.91 120.52 15.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 62.9 m -110.73 145.45 38.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 108.298 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 p -153.49 163.76 39.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 108.257 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.499 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 12.1 mtm-85 -112.08 46.05 1.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.142 . . . . 0.0 110.254 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.567 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -132.95 144.28 50.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 110.426 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.423 ' OD1' HD12 ' A' ' 1' ' ' LEU . 19.9 m-20 -61.34 140.2 58.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.443 ' NE ' HG21 ' A' ' 14' ' ' THR . 22.8 mtt180 41.38 37.92 0.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.567 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 18.0 p -86.67 -22.85 25.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 108.278 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.48 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 20.5 p-10 -95.44 48.62 1.16 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.55 ' HB3' ' CD2' ' A' ' 4' ' ' HIS . 23.2 p-10 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 116.984 -1.484 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.475 HD12 ' OD1' ' A' ' 57' ' ' ASP . 15.2 tp . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -106.6 145.48 31.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.271 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 1.195 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 11.4 m -137.88 137.21 37.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 108.279 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.479 ' HA ' ' O ' ' A' ' 13' ' ' THR . 36.6 m-70 -63.03 137.15 58.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.625 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.44 ' C ' ' OD1' ' A' ' 5' ' ' ASN . 5.0 p30 -120.05 11.28 11.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.408 ' CD ' ' HA ' ' A' ' 12' ' ' PRO . 2.6 pt20 -71.35 142.29 50.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.46 ' O ' ' C ' ' A' ' 8' ' ' SER . 2.0 pt20 -106.7 159.21 16.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.46 ' C ' ' O ' ' A' ' 7' ' ' GLN . 3.8 m 34.97 -135.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 10' ' ' GLN . 99.7 p -90.52 -0.79 57.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.971 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.595 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 36.8 mm-40 -44.26 169.1 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.266 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.595 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.7 Cg_exo -58.91 129.54 32.5 Favored 'Trans proline' 0 C--N 1.325 -0.685 0 C-N-CA 124.363 3.375 . . . . 0.0 109.846 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.7 Cg_exo -58.85 125.99 19.86 Favored 'Trans proline' 0 C--N 1.326 -0.655 0 C-N-CA 124.309 3.339 . . . . 0.0 109.892 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.479 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.1 p -132.66 174.21 10.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.385 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.456 HG21 ' NE ' ' A' ' 58' ' ' ARG . 2.3 p -145.01 157.23 44.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.409 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.07 148.8 30.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.7 m -77.94 132.37 37.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.334 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 1.195 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -85.72 122.17 29.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 108.277 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.6 t -102.24 116.39 32.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.033 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 78.62 -12.1 23.19 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.52 1.138 . . . . 0.0 110.988 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.474 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 11.8 mt-10 -103.56 156.61 17.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 0.749 . . . . 0.0 110.321 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.429 ' C ' ' CD2' ' A' ' 1' ' ' LEU . 4.4 p -135.58 15.74 3.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.408 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.484 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 24.9 m-80 -134.65 154.48 51.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.484 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 41.1 m -116.84 137.97 51.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 108.267 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.667 ' HB2' HD11 ' A' ' 51' ' ' LEU . 14.1 p90 -116.72 152.96 33.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 111.038 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.535 ' HE2' ' CE3' ' A' ' 27' ' ' TRP . 24.5 tttt -139.1 117.42 11.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.568 ' HD3' ' CZ3' ' A' ' 28' ' ' TRP . 2.5 ttmp? -108.96 141.65 40.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.118 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.581 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 27.5 p90 -158.66 144.94 17.02 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.62 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 29.2 p90 -161.43 171.08 18.81 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.5 t -103.25 152.66 21.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.034 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -145.44 166.99 24.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -67.08 -11.16 56.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.585 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -102.48 -28.33 12.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.19 -174.96 33.31 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.2 m -83.1 115.19 21.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 0.751 . . . . 0.0 110.436 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.62 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 13.5 mt -91.3 134.33 30.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.572 HG23 ' HB3' ' A' ' 27' ' ' TRP . 6.6 mt -131.28 127.07 59.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.127 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -132.73 114.92 14.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.7 mtt85 -116.38 160.83 19.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.259 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.649 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -176.5 -177.16 45.26 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.538 1.149 . . . . 0.0 111.005 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.453 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 18.5 m -85.13 151.81 23.85 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.401 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 95.46 -166.8 25.62 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.504 1.127 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 36.3 t -145.19 73.68 14.4 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.621 ' O ' HD21 ' A' ' 51' ' ' LEU . 61.6 Cg_endo -69.84 -179.09 2.7 Favored 'Trans proline' 0 C--N 1.325 -0.677 0 C-N-CA 124.183 3.256 . . . . 0.0 110.849 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.8 pttp -114.45 141.06 48.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.768 HG13 HD22 ' A' ' 51' ' ' LEU . 16.7 m -113.61 162.56 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.47 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 22.2 mtmm -85.58 170.19 13.77 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.47 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 51.6 Cg_exo -58.9 133.4 53.44 Favored 'Trans proline' 0 C--N 1.325 -0.693 0 C-N-CA 124.332 3.355 . . . . 0.0 109.9 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.34 -35.22 5.11 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.478 1.111 . . . . 0.0 110.973 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.6 t -81.68 147.0 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 109.329 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.581 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 52.8 m-80 -100.7 144.69 29.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.355 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.768 HD22 HG13 ' A' ' 45' ' ' VAL . 36.8 tp -143.86 140.19 29.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.492 ' H ' HD12 ' A' ' 51' ' ' LEU . 6.3 t30 -138.73 119.51 14.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.45 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 63.7 m -110.63 144.68 39.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 108.296 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.2 p -152.57 164.7 37.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 108.321 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.484 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 23.7 mtp85 -111.73 46.06 1.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.554 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.2 p -134.86 143.57 47.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.384 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.475 ' OD1' HD12 ' A' ' 1' ' ' LEU . 0.9 OUTLIER -62.49 142.32 57.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.456 ' NE ' HG21 ' A' ' 14' ' ' THR . 13.1 mtt180 42.75 34.87 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.554 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 15.8 p -86.31 -22.83 26.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 108.303 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.484 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 22.5 p-10 -95.55 49.48 1.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.0 p30 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 116.983 -1.484 . . . . 0.0 109.275 -179.972 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.416 HD12 ' OD1' ' A' ' 57' ' ' ASP . 13.5 tp . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.433 ' CD ' ' N ' ' A' ' 2' ' ' GLU . 4.6 mp0 -109.93 146.2 35.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 1.181 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 10.0 m -137.36 137.25 38.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 108.322 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.49 ' HA ' ' O ' ' A' ' 13' ' ' THR . 36.7 m-70 -62.33 144.04 56.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.536 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.447 ' C ' ' OD1' ' A' ' 5' ' ' ASN . 4.2 p30 -127.1 9.13 6.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.407 ' CB ' ' HA ' ' A' ' 12' ' ' PRO . 2.0 pt20 -65.69 143.91 57.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 110.296 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.479 ' CG ' ' O ' ' A' ' 36' ' ' ILE . 24.8 tt0 -106.71 154.85 20.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.46 ' C ' ' O ' ' A' ' 7' ' ' GLN . 5.2 m 34.57 -133.71 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.566 1.166 . . . . 0.0 109.966 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 10' ' ' GLN . 38.8 m -89.18 -2.67 58.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.013 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.592 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 3.1 mm100 -44.15 169.23 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.592 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.8 Cg_exo -58.94 126.81 22.19 Favored 'Trans proline' 0 C--N 1.324 -0.723 0 C-N-CA 124.39 3.393 . . . . 0.0 109.841 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.6 Cg_exo -58.84 126.89 22.47 Favored 'Trans proline' 0 C--N 1.326 -0.656 0 C-N-CA 124.358 3.372 . . . . 0.0 109.842 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.49 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.1 p -132.62 175.01 9.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.375 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.429 HG21 ' NE ' ' A' ' 58' ' ' ARG . 2.1 p -144.71 156.91 44.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 110.431 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.0 ttpt -146.65 149.01 32.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.6 m -77.49 129.74 36.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.442 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 1.181 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -83.45 122.04 27.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 108.263 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.9 t -102.93 116.58 32.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.965 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.85 -10.66 24.37 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.538 1.149 . . . . 0.0 110.959 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.493 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 9.6 mt-10 -103.5 156.25 17.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 0.732 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.3 p -135.27 15.62 3.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.391 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.496 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 23.0 m-80 -135.47 155.09 51.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.338 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.476 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 52.9 m -117.67 138.05 52.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 108.293 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.723 ' HB2' HD11 ' A' ' 51' ' ' LEU . 13.7 p90 -116.71 149.69 39.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.575 ' HE3' ' CE3' ' A' ' 27' ' ' TRP . 26.0 tttp -134.08 117.42 16.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.577 ' HD2' ' CZ3' ' A' ' 28' ' ' TRP . 2.3 ttmm -108.6 142.04 39.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.607 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 22.5 p90 -160.84 144.05 13.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 108.02 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.613 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 26.5 p90 -160.62 171.01 19.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 108.018 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.2 t -103.54 152.64 21.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.992 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.403 ' OD1' ' CD1' ' A' ' 28' ' ' TRP . 0.8 OUTLIER -145.79 167.05 24.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -67.27 -10.79 54.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.56 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 54.8 mmm-85 -102.47 -28.23 12.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.31 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 154.9 -174.95 33.1 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.2 m -83.47 114.13 21.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 0.76 . . . . 0.0 110.406 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.613 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 14.8 mt -90.86 134.12 30.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.488 HG23 ' HB3' ' A' ' 27' ' ' TRP . 8.6 mt -128.88 126.9 65.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -130.78 114.53 15.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.32 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.489 ' CZ ' ' OXT' ' A' ' 61' ' ' ASN . 12.6 mtt85 -116.26 160.71 20.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.331 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.663 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -177.07 -179.26 47.36 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.468 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 19.0 m -85.02 151.52 24.11 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.409 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 95.33 -167.21 26.04 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.453 1.096 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 36.1 t -144.57 73.89 15.35 Favored Pre-proline 0 C--N 1.325 -0.467 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.552 ' O ' HD21 ' A' ' 51' ' ' LEU . 62.2 Cg_endo -69.78 179.97 3.34 Favored 'Trans proline' 0 C--N 1.325 -0.7 0 C-N-CA 124.204 3.269 . . . . 0.0 110.83 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.405 ' NZ ' ' HB2' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -112.39 140.29 47.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.834 HG13 HD22 ' A' ' 51' ' ' LEU . 12.3 m -114.48 162.05 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.472 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 19.6 mtmm -86.54 170.13 13.29 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.081 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.472 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 51.8 Cg_exo -58.91 134.53 60.8 Favored 'Trans proline' 0 C--N 1.326 -0.657 0 C-N-CA 124.326 3.351 . . . . 0.0 109.89 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.13 -35.31 5.04 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.434 1.084 . . . . 0.0 111.046 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.539 HG11 ' HD3' ' A' ' 26' ' ' LYS . 2.5 t -82.38 145.76 8.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.45 0.735 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.607 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 51.8 m-80 -100.31 142.46 31.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.834 HD22 HG13 ' A' ' 45' ' ' VAL . 43.1 tp -142.06 140.61 32.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.446 ' H ' HD12 ' A' ' 51' ' ' LEU . 2.0 t-20 -138.69 118.04 12.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 62.9 m -108.98 144.74 36.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 108.321 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 p -153.7 163.94 39.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 108.31 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.496 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 14.8 mtm-85 -111.86 45.9 1.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.566 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -132.68 144.22 50.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 0.0 110.386 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.416 ' OD1' HD12 ' A' ' 1' ' ' LEU . 20.6 m-20 -61.22 140.16 57.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.429 ' NE ' HG21 ' A' ' 14' ' ' THR . 13.8 mtt180 41.39 38.19 0.78 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.566 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 17.8 p -86.95 -22.58 25.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 108.284 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.476 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 20.6 p-10 -95.41 48.65 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.489 ' OXT' ' CZ ' ' A' ' 38' ' ' ARG . 20.2 p-10 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 117.005 -1.474 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.437 HD12 ' OD1' ' A' ' 57' ' ' ASP . 15.1 tp . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -109.03 145.31 35.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 1.124 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 9.3 m -136.75 136.87 39.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 108.302 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.572 ' CD2' ' HB2' ' A' ' 61' ' ' ASN . 31.4 m-70 -61.9 150.01 38.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.564 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.445 ' OD1' ' O ' ' A' ' 5' ' ' ASN . 7.7 p30 -135.31 16.91 3.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.423 ' HB3' ' HA ' ' A' ' 12' ' ' PRO . 1.2 pt20 -63.18 142.12 58.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.554 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 0.1 OUTLIER -107.75 132.98 52.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.117 . . . . 0.0 110.297 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.6 m 47.77 -135.18 1.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.6 m -88.03 8.88 24.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.022 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.65 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 8.8 mm100 -58.98 170.14 0.94 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.65 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.8 Cg_exo -58.89 127.68 25.24 Favored 'Trans proline' 0 C--N 1.325 -0.692 0 C-N-CA 124.351 3.368 . . . . 0.0 109.889 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.8 Cg_exo -58.92 125.37 18.0 Favored 'Trans proline' 0 C--N 1.325 -0.683 0 C-N-CA 124.326 3.351 . . . . 0.0 109.844 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.468 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.0 p -131.08 174.26 10.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.413 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -143.49 156.79 44.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.42 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -145.44 149.01 33.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.7 m -77.37 133.72 38.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.4 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 1.124 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.8 m -87.34 121.86 30.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 108.34 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.7 t -103.17 116.4 32.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.967 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.06 -9.63 24.42 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.455 1.097 . . . . 0.0 110.972 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.496 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 15.2 mt-10 -103.65 157.47 17.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 0.778 . . . . 0.0 110.277 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.5 p -136.55 15.51 3.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 110.38 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.498 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 23.7 m-80 -134.73 155.24 50.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.485 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 57.5 m -117.55 138.66 51.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 108.354 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.701 ' HB2' HD11 ' A' ' 51' ' ' LEU . 12.6 p90 -117.97 149.67 40.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.575 ' HE3' ' CZ3' ' A' ' 27' ' ' TRP . 15.1 ttpt -134.85 117.95 16.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.55 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 2.3 ttmp? -109.11 142.27 40.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.595 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 23.3 p90 -159.99 145.15 15.13 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.629 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 37.0 p90 -161.11 170.88 19.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 107.991 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.3 t -104.98 152.67 22.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.99 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.482 ' OD1' ' CD1' ' A' ' 28' ' ' TRP . 0.8 OUTLIER -146.17 167.0 24.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -67.33 -10.41 50.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.636 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -102.46 -28.37 12.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.3 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 154.87 -174.94 33.08 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.9 m -84.8 116.57 23.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 0.734 . . . . 0.0 110.366 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.629 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 13.5 mt -92.61 135.84 26.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.516 HG21 ' NH2' ' A' ' 38' ' ' ARG . 8.0 mt -129.84 123.83 57.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -127.82 114.56 17.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.516 ' NH2' HG21 ' A' ' 36' ' ' ILE . 37.7 mtt-85 -118.05 160.95 20.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.673 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -177.31 -179.31 47.54 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.535 1.147 . . . . 0.0 111.026 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.414 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 18.7 m -84.13 151.1 25.1 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.26 -166.39 25.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.11 . . . . 0.0 110.973 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 36.8 t -144.24 73.79 15.96 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.615 ' O ' HD21 ' A' ' 51' ' ' LEU . 61.5 Cg_endo -69.82 -179.35 2.88 Favored 'Trans proline' 0 C--N 1.326 -0.658 0 C-N-CA 124.219 3.279 . . . . 0.0 110.838 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.1 tttp -114.24 140.8 48.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.356 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.814 HG13 HD22 ' A' ' 51' ' ' LEU . 16.7 m -114.03 162.99 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.467 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 13.2 mtmt -85.82 169.92 14.34 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.467 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 51.7 Cg_exo -58.89 134.02 57.5 Favored 'Trans proline' 0 C--N 1.325 -0.707 0 C-N-CA 124.402 3.401 . . . . 0.0 109.838 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.27 -35.3 5.05 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.577 1.173 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.446 HG13 ' CE3' ' A' ' 28' ' ' TRP . 2.5 t -82.16 145.85 8.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 0.792 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.595 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 51.6 m-80 -99.66 143.92 29.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.814 HD22 HG13 ' A' ' 45' ' ' VAL . 39.2 tp -144.32 139.72 28.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.456 ' H ' HD12 ' A' ' 51' ' ' LEU . 26.8 t-20 -138.69 120.93 15.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 60.7 m -109.79 145.72 36.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 108.337 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 p -153.79 163.4 40.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 108.328 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.498 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 44.5 mtm180 -112.02 46.04 1.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.564 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -132.92 144.18 49.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.163 . . . . 0.0 110.408 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.437 ' OD1' HD12 ' A' ' 1' ' ' LEU . 19.3 m-20 -61.38 140.03 58.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.9 mtt85 41.43 38.25 0.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.332 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.564 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 18.8 p -86.59 -21.36 26.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.163 . . . . 0.0 108.268 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.485 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 24.7 p-10 -94.71 44.8 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.572 ' HB2' ' CD2' ' A' ' 4' ' ' HIS . 43.4 t30 . . . . . 0 C--O 1.25 1.127 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.248 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.434 HD12 ' OD1' ' A' ' 57' ' ' ASP . 13.3 tp . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -108.8 145.17 35.64 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 1.139 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 11.7 m -137.69 137.29 38.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 108.268 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.516 ' HA ' ' O ' ' A' ' 13' ' ' THR . 38.7 m-70 -62.64 135.39 57.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.642 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.428 ' C ' ' OD1' ' A' ' 5' ' ' ASN . 6.2 p30 -116.24 13.72 15.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.468 ' O ' ' NH1' ' A' ' 38' ' ' ARG . 3.2 pt20 -74.92 131.96 41.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.446 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -108.5 154.38 22.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.316 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.7 m 54.54 -133.26 1.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.02 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.407 ' O ' ' O ' ' A' ' 10' ' ' GLN . 3.5 m -102.76 -2.07 28.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.003 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.627 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 10.2 mm100 -44.61 169.6 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.627 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.7 Cg_exo -58.88 135.52 67.39 Favored 'Trans proline' 0 C--N 1.325 -0.683 0 C-N-CA 124.364 3.376 . . . . 0.0 109.855 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.499 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.8 Cg_exo -58.91 127.15 23.29 Favored 'Trans proline' 0 C--N 1.325 -0.703 0 C-N-CA 124.342 3.362 . . . . 0.0 109.87 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.516 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.0 p -132.59 173.42 11.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.41 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 p -145.39 158.23 43.87 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.547 1.154 . . . . 0.0 110.462 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.0 tptt -149.54 148.5 29.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.4 m -77.98 128.76 34.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.399 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 1.139 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -81.97 122.09 27.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 108.283 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 34.1 p -102.78 116.52 32.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 109.932 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.32 -10.31 22.6 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.508 1.13 . . . . 0.0 111.058 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.493 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 15.3 mt-10 -103.7 159.18 15.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 0.743 . . . . 0.0 110.278 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.0 p -138.33 15.68 2.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.381 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.501 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 23.0 m-80 -134.81 155.68 50.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.473 ' O ' ' HA ' ' A' ' 53' ' ' CYS . 43.4 m -117.39 136.55 53.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 108.292 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.652 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 13.9 p90 -116.07 153.48 31.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.428 1.08 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.491 ' HG3' ' CD ' ' A' ' 38' ' ' ARG . 0.1 OUTLIER -140.88 117.5 10.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.596 ' HG2' HD13 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -109.35 143.53 38.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.24 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.586 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 25.0 p90 -160.28 144.58 14.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 108.024 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.62 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 30.0 p90 -159.62 170.58 21.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 108.021 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 61.1 m -105.14 151.74 23.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.965 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -145.61 166.5 25.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 21.1 t-160 -67.57 -9.88 46.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.585 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -102.58 -28.33 12.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 154.85 -174.9 33.07 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.8 m -86.13 116.03 24.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 0.763 . . . . 0.0 110.375 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.62 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 17.1 mt -93.08 134.86 29.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.543 HG23 ' HB3' ' A' ' 27' ' ' TRP . 6.1 mt -129.92 127.84 64.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -131.3 113.31 13.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.326 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.491 ' CD ' ' HG3' ' A' ' 25' ' ' LYS . 20.2 mtt85 -118.02 160.32 21.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.652 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -178.12 -175.92 45.66 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.476 1.11 . . . . 0.0 111.025 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.417 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 19.8 m -85.25 151.91 23.71 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.405 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 95.64 -166.68 25.32 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 38.1 t -146.12 74.47 13.08 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.602 ' O ' HD21 ' A' ' 51' ' ' LEU . 61.4 Cg_endo -69.88 -179.48 3.0 Favored 'Trans proline' 0 C--N 1.326 -0.655 0 C-N-CA 124.181 3.254 . . . . 0.0 110.809 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.8 mtpp -113.77 140.39 48.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.852 HG13 HD22 ' A' ' 51' ' ' LEU . 13.8 m -113.92 162.17 12.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.473 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 13.5 mtpt -85.95 170.05 13.92 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.473 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 52.0 Cg_exo -58.91 133.95 56.99 Favored 'Trans proline' 0 C--N 1.325 -0.664 0 C-N-CA 124.34 3.36 . . . . 0.0 109.861 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.17 -35.37 4.99 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.547 1.154 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.6 t -81.54 147.05 6.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.481 0.754 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.586 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 53.0 m-80 -100.74 143.75 30.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.852 HD22 HG13 ' A' ' 45' ' ' VAL . 24.1 tp -144.27 140.23 29.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.582 ' H ' HD12 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -138.96 121.16 15.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.473 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 62.8 m -111.7 145.08 39.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 108.264 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.5 p -151.98 162.98 40.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 108.289 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.501 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 52.6 mtm180 -112.41 46.25 1.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.272 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.557 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -133.37 144.44 49.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.37 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.434 ' OD1' HD12 ' A' ' 1' ' ' LEU . 19.5 m-20 -61.24 140.01 58.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.33 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.434 ' O ' ' ND2' ' A' ' 61' ' ' ASN . 19.8 mtt85 41.02 38.57 0.71 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.321 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.557 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 20.2 p -86.11 -23.43 26.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 108.301 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.473 ' O ' ' CD ' ' A' ' 38' ' ' ARG . 25.7 p-10 -95.45 48.55 1.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.457 ' O ' ' CZ ' ' A' ' 38' ' ' ARG . 15.4 m-80 . . . . . 0 C--O 1.25 1.094 0 CA-C-O 116.966 -1.493 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.416 HD12 ' OD1' ' A' ' 57' ' ' ASP . 12.7 tp . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -112.54 145.77 39.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 1.036 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 16.3 m -137.24 137.32 38.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 108.297 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.519 ' HA ' ' O ' ' A' ' 13' ' ' THR . 32.7 m-70 -60.45 141.9 55.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.575 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.438 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 4.0 p-10 -124.98 15.12 8.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -73.8 144.46 45.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.506 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 30.6 tt0 -106.66 149.4 27.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 7' ' ' GLN . 3.2 m 38.53 -136.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.991 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 61.3 m -86.47 9.44 18.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.975 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.615 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 28.0 mm-40 -53.82 169.53 0.34 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 110.323 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.615 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.6 Cg_exo -58.91 127.08 23.04 Favored 'Trans proline' 0 C--N 1.325 -0.698 0 C-N-CA 124.298 3.332 . . . . 0.0 109.926 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.507 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.9 Cg_exo -58.88 120.57 8.52 Favored 'Trans proline' 0 C--N 1.325 -0.685 0 C-N-CA 124.325 3.35 . . . . 0.0 109.877 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.519 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.1 p -131.53 174.81 9.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.4 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.451 HG21 ' NE ' ' A' ' 58' ' ' ARG . 2.1 p -145.24 157.94 43.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.383 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 56.0 tttt -147.27 149.18 32.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.8 m -77.34 129.8 36.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.419 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 1.036 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -82.36 122.22 27.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 108.334 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.0 p -102.54 116.2 32.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 109.969 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.89 -10.7 24.48 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.499 1.125 . . . . 0.0 111.043 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.495 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 6.7 mt-10 -103.58 160.52 14.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 0.759 . . . . 0.0 110.281 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.7 p -139.72 15.65 2.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.368 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.502 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 23.1 m-80 -135.11 155.9 49.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.492 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 33.7 m -117.17 136.81 52.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 108.304 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.59 ' HB2' HD11 ' A' ' 51' ' ' LEU . 12.4 p90 -117.25 152.25 35.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 111.028 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.426 ' NZ ' ' HB3' ' A' ' 25' ' ' LYS . 3.8 ttpm? -143.97 115.9 8.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.587 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -110.15 143.22 40.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.625 ' HB3' HG23 ' A' ' 36' ' ' ILE . 35.0 p90 -154.32 147.4 24.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 108.006 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.61 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 28.4 p90 -159.32 169.68 23.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 108.022 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.7 p -105.42 137.99 42.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.002 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.534 ' OD1' ' CD1' ' A' ' 28' ' ' TRP . 0.9 OUTLIER -129.34 165.5 21.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 -66.25 -10.64 44.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.585 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 62.4 mtm180 -102.38 -28.32 12.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.143 . . . . 0.0 110.279 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 154.64 176.2 26.64 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.539 1.149 . . . . 0.0 110.946 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.1 m -75.7 116.48 16.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 0.768 . . . . 0.0 110.444 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.61 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 17.8 mt -93.81 136.91 24.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.625 HG23 ' HB3' ' A' ' 27' ' ' TRP . 5.4 mt -134.95 129.2 50.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.482 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 7.8 tt0 -130.22 116.31 18.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.479 ' CZ ' ' O ' ' A' ' 61' ' ' ASN . 29.2 mtt-85 -113.4 152.68 29.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.579 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -172.77 -179.35 43.47 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.518 1.136 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.401 ' C ' ' OE1' ' A' ' 20' ' ' GLU . 22.3 m -86.22 153.31 22.11 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.41 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 96.17 -165.62 24.12 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.571 1.169 . . . . 0.0 111.02 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 38.0 t -148.0 73.88 11.13 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.57 ' HD2' ' CB ' ' A' ' 24' ' ' TYR . 61.6 Cg_endo -69.82 -178.93 2.6 Favored 'Trans proline' 0 C--N 1.325 -0.69 0 C-N-CA 124.16 3.24 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.0 tmtt? -114.89 140.86 48.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.25 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.785 HG13 HD22 ' A' ' 51' ' ' LEU . 18.0 m -113.76 163.47 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.466 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 24.4 mttt -85.35 169.31 16.45 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.252 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.466 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 51.7 Cg_exo -58.89 133.79 55.98 Favored 'Trans proline' 0 C--N 1.325 -0.671 0 C-N-CA 124.355 3.37 . . . . 0.0 109.885 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.12 -35.24 5.08 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.506 1.129 . . . . 0.0 110.997 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.8 t -81.6 146.05 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.537 0.786 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.587 ' O ' ' HA ' ' A' ' 26' ' ' LYS . 60.1 m-80 -98.61 147.25 25.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.785 HD22 HG13 ' A' ' 45' ' ' VAL . 34.5 tp -147.83 140.82 24.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.24 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.518 ' H ' HD12 ' A' ' 51' ' ' LEU . 6.1 t-20 -138.99 122.81 17.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.48 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 68.7 m -113.39 142.64 45.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 108.275 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.5 p -150.71 163.14 39.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 108.275 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.502 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 38.5 mtm180 -111.95 45.66 1.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.565 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -132.03 144.17 50.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.132 . . . . 0.0 110.397 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.416 ' OD1' HD12 ' A' ' 1' ' ' LEU . 19.7 m-20 -61.39 140.12 58.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.451 ' NE ' HG21 ' A' ' 14' ' ' THR . 15.5 mtt180 41.62 38.0 0.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.565 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 17.7 p -86.91 -22.98 25.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 108.296 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.492 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 24.7 p-10 -95.29 47.78 1.14 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.479 ' O ' ' CZ ' ' A' ' 38' ' ' ARG . 1.8 m120 . . . . . 0 C--O 1.25 1.084 0 CA-C-O 116.979 -1.486 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.432 HD12 ' OD1' ' A' ' 57' ' ' ASP . 13.0 tp . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -108.18 145.65 33.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 1.121 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 12.6 m -137.27 137.33 38.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 108.306 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.618 ' CD2' ' CB ' ' A' ' 61' ' ' ASN . 31.2 m-70 -63.23 134.9 56.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.564 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.584 ' ND2' ' C ' ' A' ' 5' ' ' ASN . 0.1 OUTLIER -116.91 11.57 14.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.504 ' OE1' ' CZ ' ' A' ' 38' ' ' ARG . 0.2 OUTLIER -64.62 141.63 58.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.262 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.436 ' O ' ' HG2' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -106.62 156.88 18.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.248 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 7' ' ' GLN . 14.6 m 36.62 -128.67 0.14 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.004 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.9 p -97.22 1.22 49.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.99 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.597 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 10.4 mm100 -44.42 168.26 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.256 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.597 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.8 Cg_exo -58.9 143.38 99.48 Favored 'Trans proline' 0 C--N 1.326 -0.63 0 C-N-CA 124.328 3.352 . . . . 0.0 109.865 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.7 Cg_exo -58.87 124.15 15.08 Favored 'Trans proline' 0 C--N 1.326 -0.648 0 C-N-CA 124.359 3.373 . . . . 0.0 109.881 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.533 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 1.9 p -131.1 169.33 16.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 110.404 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -146.17 158.31 43.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.368 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.43 ' HE3' ' CB ' ' A' ' 5' ' ' ASN . 8.8 ptpt -149.94 148.25 28.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.2 m -78.01 133.33 38.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 110.436 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 1.121 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.8 m -88.14 121.84 31.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 108.306 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.2 p -102.9 116.56 32.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.005 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.65 -10.13 25.85 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.502 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 7.0 mt-10 -103.52 160.16 14.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 0.762 . . . . 0.0 110.255 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.1 p -139.39 15.88 2.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.437 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.503 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 22.5 m-80 -134.72 154.94 51.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.346 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.487 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 53.0 m -117.03 137.17 52.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 108.323 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.662 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 12.2 p90 -117.2 153.31 33.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.472 ' HG2' ' CE3' ' A' ' 27' ' ' TRP . 13.3 ttpp -139.72 117.49 11.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.579 ' HG2' HD13 ' A' ' 51' ' ' LEU . 10.3 mtmt -109.41 140.9 42.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.581 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 28.1 p90 -158.61 144.45 16.76 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.578 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 36.5 p90 -161.39 170.97 19.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 108.017 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.1 p -103.18 153.29 20.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.975 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -146.64 166.78 25.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 42.2 m170 -67.22 -11.3 57.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.573 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.5 mmt-85 -102.58 -28.21 12.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.276 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.85 -174.88 33.79 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.5 m -84.9 112.87 20.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 0.787 . . . . 0.0 110.389 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.578 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 12.0 mt -88.48 131.49 35.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.58 HG23 ' HB3' ' A' ' 27' ' ' TRP . 8.6 mt -128.62 121.35 54.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -128.0 114.95 17.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.271 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.504 ' CZ ' ' OE1' ' A' ' 6' ' ' GLN . 11.8 mtt180 -121.79 160.65 24.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.313 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.662 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -175.89 -173.93 42.0 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.2 m -84.0 151.45 25.0 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.401 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 95.78 -166.04 24.81 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.528 1.142 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 37.3 t -145.95 74.03 13.38 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.642 ' O ' HD21 ' A' ' 51' ' ' LEU . 61.5 Cg_endo -69.8 -179.52 2.99 Favored 'Trans proline' 0 C--N 1.325 -0.706 0 C-N-CA 124.225 3.283 . . . . 0.0 110.812 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -115.06 140.41 49.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.343 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.806 HG13 HD22 ' A' ' 51' ' ' LEU . 18.1 m -113.82 163.39 11.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.103 . . . . 0.0 109.335 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.474 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 3.5 mtmt -85.49 169.99 14.39 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.474 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 51.7 Cg_exo -58.85 133.77 55.96 Favored 'Trans proline' 0 C--N 1.325 -0.662 0 C-N-CA 124.346 3.364 . . . . 0.0 109.898 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.29 -35.13 5.17 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.535 1.147 . . . . 0.0 111.038 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.493 HG13 ' CE3' ' A' ' 28' ' ' TRP . 2.6 t -81.36 145.98 8.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.523 0.778 . . . . 0.0 109.336 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.581 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 52.5 m-80 -98.79 143.83 28.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.806 HD22 HG13 ' A' ' 45' ' ' VAL . 21.1 tp -144.43 138.96 28.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.565 ' H ' HD12 ' A' ' 51' ' ' LEU . 15.9 t-20 -138.39 120.78 15.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.48 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 65.0 m -111.56 145.48 39.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 108.305 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 p -152.86 163.19 40.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 108.345 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.503 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 14.1 mtm-85 -112.18 46.1 1.2 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.427 1.079 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.554 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -133.45 144.26 49.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.401 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.432 ' OD1' HD12 ' A' ' 1' ' ' LEU . 19.9 m-20 -61.47 140.21 58.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 29.2 mtt85 41.25 38.59 0.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.554 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 19.9 p -86.38 -23.93 25.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 108.32 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.487 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 25.6 p-10 -94.31 42.97 1.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.618 ' CB ' ' CD2' ' A' ' 4' ' ' HIS . 1.6 p-10 . . . . . 0 C--O 1.251 1.132 0 CA-C-O 116.997 -1.478 . . . . 0.0 109.355 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.429 HD12 ' OD1' ' A' ' 57' ' ' ASP . 12.6 tp . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -108.12 145.03 34.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 1.087 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 16.0 m -137.16 136.94 38.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 108.299 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.631 ' CD2' ' CB ' ' A' ' 61' ' ' ASN . 30.7 m-70 -62.47 143.49 57.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.617 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.448 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 3.7 p-10 -126.4 16.27 7.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.461 ' OE1' ' NH1' ' A' ' 38' ' ' ARG . 2.6 pt20 -64.5 134.44 54.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.303 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.518 ' HB2' ' NE2' ' A' ' 10' ' ' GLN . 25.5 mm-40 -106.56 142.36 36.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.323 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.3 m 47.35 -135.48 0.97 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 110.035 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 m -94.86 20.41 8.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.998 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.639 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 10.7 mt-30 -68.15 169.74 9.33 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 110.324 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.639 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.9 Cg_exo -58.82 131.42 41.9 Favored 'Trans proline' 0 C--N 1.325 -0.702 0 C-N-CA 124.401 3.401 . . . . 0.0 109.872 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.7 Cg_exo -58.89 123.61 13.89 Favored 'Trans proline' 0 C--N 1.325 -0.696 0 C-N-CA 124.356 3.37 . . . . 0.0 109.876 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.477 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.1 p -131.82 174.53 10.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 110.396 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -143.09 157.69 44.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.401 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -147.67 149.41 32.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.6 m -77.08 136.44 38.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.163 . . . . 0.0 110.397 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 1.087 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 4.0 m -91.14 121.99 33.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 108.298 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.7 t -102.95 116.27 32.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.992 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 78.4 -11.03 26.31 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.139 . . . . 0.0 110.978 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.493 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 8.6 mt-10 -103.42 159.38 15.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 0.767 . . . . 0.0 110.263 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.1 p -139.15 15.97 2.62 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.502 1.126 . . . . 0.0 110.383 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.503 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 21.5 m-80 -134.76 154.87 51.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.486 ' O ' ' HA ' ' A' ' 53' ' ' CYS . 38.7 m -117.02 136.44 52.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 108.306 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.69 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 13.4 p90 -115.53 152.1 33.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.574 1.171 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.544 ' HG2' ' CE3' ' A' ' 27' ' ' TRP . 25.9 ttpt -136.66 116.57 13.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.65 ' HG3' HG11 ' A' ' 45' ' ' VAL . 2.1 ttmm -109.66 140.57 43.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.605 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 25.5 p90 -160.45 143.15 13.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 107.985 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.593 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 37.5 p90 -158.74 170.78 21.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 108.012 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.0 t -105.09 154.18 20.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.994 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -147.96 166.44 27.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -67.38 -10.78 54.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.594 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? -102.51 -28.16 12.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 156.14 -174.85 34.0 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.1 m -88.14 114.16 24.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 0.787 . . . . 0.0 110.41 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.593 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 17.5 mt -89.57 134.14 29.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.504 HG23 ' HB3' ' A' ' 27' ' ' TRP . 7.7 mt -128.09 121.32 55.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.403 ' O ' ' HB3' ' A' ' 26' ' ' LYS . 20.9 tt0 -129.09 113.58 15.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.267 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.528 ' NE ' ' CD ' ' A' ' 25' ' ' LYS . 61.3 mtt180 -126.84 160.36 31.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.69 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -174.76 -169.3 36.56 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.464 1.103 . . . . 0.0 110.966 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 22.7 m -84.4 150.8 25.09 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.74 -167.37 25.62 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.522 1.139 . . . . 0.0 111.049 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 37.2 t -145.81 75.19 13.27 Favored Pre-proline 0 C--N 1.325 -0.5 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.589 ' O ' HD21 ' A' ' 51' ' ' LEU . 61.5 Cg_endo -69.86 179.76 3.53 Favored 'Trans proline' 0 C--N 1.326 -0.651 0 C-N-CA 124.182 3.255 . . . . 0.0 110.808 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -114.85 139.06 50.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.703 HG13 HD22 ' A' ' 51' ' ' LEU . 18.5 m -114.72 164.0 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.486 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 20.3 mtmt -86.45 170.68 11.88 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.486 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 51.9 Cg_exo -58.94 134.61 61.2 Favored 'Trans proline' 0 C--N 1.324 -0.72 0 C-N-CA 124.379 3.386 . . . . 0.0 109.855 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.48 -35.35 5.03 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.5 t -80.81 144.82 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 0.764 . . . . 0.0 109.287 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.605 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 52.5 m-80 -98.63 139.18 34.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.703 HD22 HG13 ' A' ' 45' ' ' VAL . 22.2 tp -139.76 139.88 36.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.58 ' H ' HD12 ' A' ' 51' ' ' LEU . 5.0 t30 -138.72 117.61 12.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.486 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 70.0 m -110.32 145.06 38.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 108.305 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 p -153.04 163.36 39.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 108.27 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.503 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 40.6 mtt180 -112.35 46.18 1.2 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 110.331 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.552 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -133.7 144.27 49.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.415 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.429 ' OD1' HD12 ' A' ' 1' ' ' LEU . 19.9 m-20 -61.37 140.05 58.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.272 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 41.18 38.91 0.82 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.552 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 20.4 p -86.48 -24.53 25.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 108.255 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.482 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 25.2 p-10 -94.37 43.23 1.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.128 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.631 ' CB ' ' CD2' ' A' ' 4' ' ' HIS . 2.3 p30 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 117.021 -1.466 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.421 HD12 ' OD1' ' A' ' 57' ' ' ASP . 12.5 tp . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -110.45 145.3 37.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.306 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 1.096 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 13.4 m -137.51 137.35 38.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 108.27 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.514 ' HA ' ' O ' ' A' ' 13' ' ' THR . 35.6 m-70 -61.82 136.56 58.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.621 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.435 ' C ' ' OD1' ' A' ' 5' ' ' ASN . 5.4 p30 -118.11 11.71 13.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 0.0 109.244 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.415 ' HG3' ' HD2' ' A' ' 38' ' ' ARG . 2.9 pt20 -72.49 142.6 48.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.578 1.174 . . . . 0.0 110.315 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.465 ' O ' ' C ' ' A' ' 8' ' ' SER . 2.4 pt20 -106.72 160.12 15.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.465 ' C ' ' O ' ' A' ' 7' ' ' GLN . 3.7 m 34.58 -135.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.989 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 10' ' ' GLN . 3.2 m -90.48 0.03 57.48 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.494 1.121 . . . . 0.0 109.991 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.6 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 38.6 mm-40 -44.26 169.2 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.6 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.6 Cg_exo -58.93 130.72 37.96 Favored 'Trans proline' 0 C--N 1.325 -0.68 0 C-N-CA 124.314 3.343 . . . . 0.0 109.89 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.484 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.9 Cg_exo -58.87 124.8 16.51 Favored 'Trans proline' 0 C--N 1.325 -0.677 0 C-N-CA 124.337 3.358 . . . . 0.0 109.867 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.514 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.0 p -132.79 174.09 10.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.414 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 p -145.31 158.37 43.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.4 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -149.3 148.64 29.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.4 m -77.9 129.16 35.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.391 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 1.096 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 4.0 m -81.03 122.04 26.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 108.287 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.51 116.12 31.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.974 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.43 -10.58 21.91 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.492 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 15.3 mt-10 -103.57 162.07 13.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 0.786 . . . . 0.0 110.328 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.8 p -140.95 15.58 2.28 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.488 1.117 . . . . 0.0 110.379 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.507 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 21.8 m-80 -135.06 156.25 49.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.487 ' O ' ' HA ' ' A' ' 53' ' ' CYS . 36.4 m -117.01 136.61 52.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.163 . . . . 0.0 108.337 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.59 ' HB2' HD11 ' A' ' 51' ' ' LEU . 12.6 p90 -117.13 151.53 36.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.975 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.407 ' HB3' ' NZ ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -142.37 114.99 8.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.603 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 2.2 pttm -110.31 141.56 43.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.679 ' HB3' HG23 ' A' ' 36' ' ' ILE . 36.4 p90 -153.41 147.33 25.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 108.044 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.61 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 26.9 p90 -159.12 169.49 24.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 107.963 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.8 t -105.41 137.51 43.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -128.6 165.84 20.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 109.342 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 27.6 p-80 -66.53 -10.49 45.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.609 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.2 ttm180 -102.34 -28.36 12.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.558 1.161 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 154.67 176.17 26.63 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.7 m -75.06 116.45 15.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 0.742 . . . . 0.0 110.389 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.61 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 17.0 mt -94.72 134.26 32.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.679 HG23 ' HB3' ' A' ' 27' ' ' TRP . 5.8 mt -133.21 128.98 56.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.469 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 79.5 mm-40 -130.08 115.68 17.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.415 ' HD2' ' HG3' ' A' ' 6' ' ' GLN . 23.6 mtt85 -113.3 152.18 30.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.575 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -172.27 -179.19 42.98 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.524 1.14 . . . . 0.0 111.008 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.44 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 21.6 m -85.34 153.39 22.58 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.41 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 96.25 -166.13 24.27 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.483 1.115 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.401 ' HA ' ' HB3' ' A' ' 24' ' ' TYR . 39.0 t -147.96 74.07 11.14 Favored Pre-proline 0 C--N 1.326 -0.451 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.568 ' HD2' ' CB ' ' A' ' 24' ' ' TYR . 61.6 Cg_endo -69.83 -179.19 2.77 Favored 'Trans proline' 0 C--N 1.325 -0.672 0 C-N-CA 124.199 3.266 . . . . 0.0 110.851 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.3 mptt -114.59 140.45 48.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.787 HG13 HD22 ' A' ' 51' ' ' LEU . 17.7 m -113.75 163.45 10.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.471 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 8.6 mtpp -85.47 169.47 15.9 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.471 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 51.7 Cg_exo -58.89 133.72 55.56 Favored 'Trans proline' 0 C--N 1.325 -0.707 0 C-N-CA 124.377 3.384 . . . . 0.0 109.932 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.19 -35.26 5.07 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.8 t -81.19 145.6 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.46 0.741 . . . . 0.0 109.283 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.603 ' O ' ' HA ' ' A' ' 26' ' ' LYS . 61.1 m-80 -98.14 146.44 25.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.787 HD22 HG13 ' A' ' 45' ' ' VAL . 31.2 tp -147.21 140.31 25.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.532 ' H ' HD12 ' A' ' 51' ' ' LEU . 10.7 t30 -138.68 121.75 16.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.347 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.487 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 75.9 m -113.06 143.16 44.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 108.299 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.5 p -150.85 163.26 39.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 108.328 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.507 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 15.5 mtm-85 -112.27 45.92 1.23 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.56 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -133.0 144.34 50.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 110.402 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.421 ' OD1' HD12 ' A' ' 1' ' ' LEU . 19.8 m-20 -61.36 140.26 58.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.567 1.167 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.7 mtt85 41.31 38.11 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.56 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 19.1 p -86.4 -23.42 26.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 108.331 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.484 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 25.5 p-10 -95.26 47.96 1.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.5 p30 . . . . . 0 C--O 1.25 1.092 0 CA-C-O 117.01 -1.471 . . . . 0.0 109.326 179.981 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.436 HD12 ' OD1' ' A' ' 57' ' ' ASP . 14.9 tp . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.522 ' OE2' HG23 ' A' ' 16' ' ' THR . 46.9 mm-40 -108.39 144.61 35.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.334 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 1.091 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 13.9 m -137.18 137.06 38.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 108.283 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.504 ' CG ' ' HA ' ' A' ' 61' ' ' ASN . 31.7 m-70 -63.04 145.18 56.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.616 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.452 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 4.0 p-10 -127.46 16.6 7.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.133 . . . . 0.0 109.362 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.555 ' NE2' ' O ' ' A' ' 61' ' ' ASN . 7.0 pt20 -64.2 135.42 56.27 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.506 1.129 . . . . 0.0 110.316 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.554 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 33.8 tt0 -106.56 141.73 37.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.26 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.7 m 45.92 -134.94 0.82 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 110.003 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.6 p -93.94 20.64 7.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 109.978 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.625 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 6.0 mm100 -68.61 169.72 10.06 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 110.262 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.625 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.5 Cg_exo -58.91 130.79 38.34 Favored 'Trans proline' 0 C--N 1.325 -0.694 0 C-N-CA 124.332 3.355 . . . . 0.0 109.878 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.9 Cg_exo -58.85 123.23 13.07 Favored 'Trans proline' 0 C--N 1.325 -0.705 0 C-N-CA 124.386 3.391 . . . . 0.0 109.848 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.478 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.1 p -131.66 174.38 10.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.084 . . . . 0.0 110.415 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -143.62 157.19 44.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.38 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -146.95 149.43 33.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.522 HG23 ' OE2' ' A' ' 2' ' ' GLU . 3.6 m -76.98 134.06 38.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.362 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 1.091 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -88.15 122.11 31.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 108.265 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.1 m -103.02 116.45 32.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.991 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.56 -10.33 24.12 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.501 1.126 . . . . 0.0 110.972 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.493 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 9.2 mt-10 -103.55 158.8 16.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 0.764 . . . . 0.0 110.266 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.417 ' C ' ' CD2' ' A' ' 1' ' ' LEU . 7.3 p -138.64 15.96 2.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.395 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.5 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 22.7 m-80 -134.99 155.15 51.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.476 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 38.7 m -117.23 136.72 52.87 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 108.316 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.669 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 13.5 p90 -116.14 152.88 32.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.112 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.541 ' CE ' ' NH1' ' A' ' 38' ' ' ARG . 29.3 tttm -138.9 116.73 11.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.569 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 11.7 ttmt -109.48 142.24 40.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.588 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 24.0 p90 -159.98 144.96 15.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 108.015 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.618 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 39.3 p90 -160.93 170.98 19.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 107.992 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 t -105.05 153.01 22.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.991 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.445 ' OD1' ' CD1' ' A' ' 28' ' ' TRP . 1.4 m-20 -146.94 166.65 26.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -67.4 -10.55 52.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.584 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -102.44 -28.22 12.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.274 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.39 -174.94 33.46 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.1 m -86.33 114.63 23.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 0.782 . . . . 0.0 110.372 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.618 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 13.6 mt -90.19 134.76 28.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.549 HG21 ' NH2' ' A' ' 38' ' ' ARG . 7.8 mt -129.45 121.21 52.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -126.48 113.79 17.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.266 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.549 ' NH2' HG21 ' A' ' 36' ' ' ILE . 8.4 mtt180 -124.07 160.36 27.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 110.309 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.669 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -177.35 -172.95 42.42 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.121 . . . . 0.0 111.023 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 21.8 m -83.83 151.2 25.28 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.402 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 95.44 -167.43 26.06 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.484 1.115 . . . . 0.0 110.979 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 38.3 t -145.06 74.44 14.38 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.617 ' O ' HD21 ' A' ' 51' ' ' LEU . 61.9 Cg_endo -69.82 -179.59 3.04 Favored 'Trans proline' 0 C--N 1.325 -0.697 0 C-N-CA 124.243 3.295 . . . . 0.0 110.804 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -114.69 140.26 49.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.821 HG13 HD22 ' A' ' 51' ' ' LEU . 16.8 m -114.09 163.32 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.474 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 7.1 mtmm -85.76 170.06 14.03 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.474 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 51.6 Cg_exo -58.85 134.12 58.24 Favored 'Trans proline' 0 C--N 1.326 -0.64 0 C-N-CA 124.329 3.353 . . . . 0.0 109.865 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.13 -35.33 5.02 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.491 HG13 ' CE3' ' A' ' 28' ' ' TRP . 2.6 t -81.26 145.77 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.76 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.588 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 52.5 m-80 -98.93 143.16 29.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.821 HD22 HG13 ' A' ' 45' ' ' VAL . 28.6 tp -144.12 139.49 28.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.532 ' H ' HD12 ' A' ' 51' ' ' LEU . 11.8 t-20 -139.11 121.26 15.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.473 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 62.6 m -111.02 146.18 37.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 108.307 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.6 p -152.75 162.32 41.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 108.307 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.5 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 22.7 mtp85 -112.36 46.27 1.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 110.303 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.549 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -133.22 144.35 49.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.386 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.436 ' OD1' HD12 ' A' ' 1' ' ' LEU . 17.5 m-20 -61.34 139.21 58.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.453 ' O ' ' ND2' ' A' ' 61' ' ' ASN . 16.5 mtt85 41.48 39.82 1.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.33 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.549 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 21.7 p -87.01 -24.43 24.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 108.262 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.476 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 24.5 p-10 -95.1 46.54 1.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.338 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.555 ' O ' ' NE2' ' A' ' 6' ' ' GLN . 1.6 m120 . . . . . 0 C--O 1.25 1.092 0 CA-C-O 117.022 -1.466 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.441 HD12 ' OD1' ' A' ' 57' ' ' ASP . 13.0 tp . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -108.04 144.28 35.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 1.078 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 18.3 m -137.03 136.77 38.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 108.312 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.639 ' CD2' ' CB ' ' A' ' 61' ' ' ASN . 27.2 m-70 -61.18 150.4 34.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.59 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.427 ' OD1' ' O ' ' A' ' 5' ' ' ASN . 7.8 p30 -134.07 16.3 3.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.428 ' HB3' ' HA ' ' A' ' 12' ' ' PRO . 4.4 pt20 -64.27 135.93 56.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.153 . . . . 0.0 110.307 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.55 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 7.1 mp0 -106.36 141.31 37.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.9 m 44.79 -135.76 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.024 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.5 p -92.42 20.46 6.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.996 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.618 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 22.6 mm-40 -69.74 169.89 11.31 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.344 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.618 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 52.0 Cg_exo -58.96 128.58 28.41 Favored 'Trans proline' 0 C--N 1.325 -0.7 0 C-N-CA 124.359 3.373 . . . . 0.0 109.86 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.8 Cg_exo -58.9 124.03 14.81 Favored 'Trans proline' 0 C--N 1.325 -0.687 0 C-N-CA 124.358 3.372 . . . . 0.0 109.858 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.472 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.1 p -131.49 174.32 10.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.372 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -142.4 157.03 45.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.398 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -146.21 149.33 33.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.7 m -77.22 132.92 38.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.383 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 1.078 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -85.83 121.93 29.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 108.336 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.3 m -102.73 116.21 32.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 109.999 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 76.82 -10.12 20.37 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.472 1.108 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.478 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 13.1 mt-10 -103.76 159.45 15.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 0.757 . . . . 0.0 110.313 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.406 ' C ' ' CD2' ' A' ' 1' ' ' LEU . 7.3 p -138.9 16.14 2.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.371 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.505 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 21.7 m-80 -134.33 155.3 50.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.491 ' O ' ' HA ' ' A' ' 53' ' ' CYS . 36.6 m -116.86 136.53 52.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 108.305 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.659 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 13.3 p90 -116.4 153.3 32.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.975 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.48 ' CD ' ' HD3' ' A' ' 38' ' ' ARG . 6.5 ttpm? -140.41 115.81 10.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.581 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 15.0 ttpt -109.87 142.13 41.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.605 ' HB3' HG23 ' A' ' 36' ' ' ILE . 28.5 p90 -159.2 144.22 15.78 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.568 ' CE2' ' HB ' ' A' ' 35' ' ' ILE . 27.9 p90 -159.5 171.12 20.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 107.975 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 87.6 p -103.93 153.96 20.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.983 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -147.06 167.07 24.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.263 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -67.63 -10.7 54.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 109.578 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 31.4 tpt180 -102.56 -28.28 12.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.6 -174.94 33.61 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.483 1.115 . . . . 0.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.8 m -85.24 113.75 21.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 0.785 . . . . 0.0 110.41 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.568 ' HB ' ' CE2' ' A' ' 28' ' ' TRP . 10.1 mt -90.07 133.17 32.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.605 HG23 ' HB3' ' A' ' 27' ' ' TRP . 6.5 mt -129.01 123.86 59.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.427 ' CA ' ' OE1' ' A' ' 37' ' ' GLU . 3.4 tp10 -129.85 113.94 15.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.483 ' NH1' ' C ' ' A' ' 61' ' ' ASN . 11.6 mtm180 -123.22 160.34 26.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.27 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.659 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -176.61 -171.44 40.29 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.534 1.146 . . . . 0.0 110.953 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 21.2 m -84.66 151.6 24.35 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 96.18 -166.81 24.69 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 37.8 t -146.67 74.89 12.33 Favored Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.586 ' O ' HD21 ' A' ' 51' ' ' LEU . 61.5 Cg_endo -69.8 -179.56 3.02 Favored 'Trans proline' 0 C--N 1.326 -0.639 0 C-N-CA 124.193 3.262 . . . . 0.0 110.829 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -114.5 139.85 49.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.86 HG13 HD22 ' A' ' 51' ' ' LEU . 14.5 m -113.88 162.87 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.471 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 25.2 mtmt -85.75 169.59 15.33 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.471 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 51.8 Cg_exo -58.84 134.05 57.81 Favored 'Trans proline' 0 C--N 1.325 -0.658 0 C-N-CA 124.359 3.372 . . . . 0.0 109.882 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.07 -35.29 5.05 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.129 . . . . 0.0 110.975 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.478 HG12 ' HG3' ' A' ' 26' ' ' LYS . 3.0 t -80.05 148.77 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 0.749 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.583 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 55.1 m-80 -101.15 142.65 32.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.86 HD22 HG13 ' A' ' 45' ' ' VAL . 27.4 tp -144.74 139.5 27.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.537 ' H ' HD12 ' A' ' 51' ' ' LEU . 16.5 t-20 -138.76 120.34 15.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.491 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 69.3 m -111.59 144.7 40.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 108.286 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.5 p -152.01 163.29 39.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 108.326 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.505 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 41.7 mtp180 -112.58 46.24 1.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.258 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.555 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -133.54 144.45 49.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.382 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.441 ' OD1' HD12 ' A' ' 1' ' ' LEU . 18.9 m-20 -61.18 139.86 58.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.5 mtt180 40.93 38.91 0.73 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.555 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 20.7 p -86.0 -24.53 26.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 108.29 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.477 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 25.7 p-10 -94.0 41.85 1.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.639 ' CB ' ' CD2' ' A' ' 4' ' ' HIS . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.112 0 CA-C-O 116.99 -1.481 . . . . 0.0 109.259 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.427 HD12 ' OD1' ' A' ' 57' ' ' ASP . 13.3 tp . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -110.0 144.24 38.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.105 . . . . 0.0 110.279 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 1.142 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 10.1 m -137.56 137.55 38.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 108.27 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.542 ' CD2' ' CB ' ' A' ' 61' ' ' ASN . 29.7 m-70 -60.31 146.96 42.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.574 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.445 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 3.7 p-10 -130.94 15.38 5.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.481 ' CD ' ' NH2' ' A' ' 38' ' ' ARG . 0.1 OUTLIER -75.58 144.25 41.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 110.314 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.488 ' CG ' ' N ' ' A' ' 8' ' ' SER . 27.0 tt0 -106.28 159.1 16.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.265 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.488 ' N ' ' CG ' ' A' ' 7' ' ' GLN . 7.1 m 34.08 -131.5 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 110.042 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.3 m -93.56 -0.31 56.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.982 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.591 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 11.5 mt-30 -44.33 169.31 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.328 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.591 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.9 Cg_exo -58.9 126.13 20.24 Favored 'Trans proline' 0 C--N 1.325 -0.681 0 C-N-CA 124.351 3.367 . . . . 0.0 109.867 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.8 Cg_exo -58.86 126.2 20.47 Favored 'Trans proline' 0 C--N 1.325 -0.704 0 C-N-CA 124.363 3.375 . . . . 0.0 109.885 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.497 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.1 p -133.54 174.76 10.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.389 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 p -145.18 157.43 44.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.384 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.5 ptpt -148.09 149.27 31.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.338 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.9 m -77.22 126.92 31.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.38 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 1.142 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -79.62 122.22 26.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 108.312 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.4 t -102.43 116.56 32.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.977 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 78.88 -11.69 26.65 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.494 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 8.4 mt-10 -103.49 158.81 16.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 110.272 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.0 p -138.42 15.95 2.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 110.368 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.499 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 22.8 m-80 -135.12 155.05 51.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.466 ' O ' ' HA ' ' A' ' 53' ' ' CYS . 37.8 m -116.96 136.61 52.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 108.289 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.666 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 16.1 p90 -114.91 152.41 32.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.557 ' HG2' ' CE3' ' A' ' 27' ' ' TRP . 44.9 tttp -136.32 116.77 13.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.58 ' HD2' HG12 ' A' ' 45' ' ' VAL . 13.9 mtmm -109.8 140.76 43.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.6 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 24.5 p90 -160.54 144.13 13.65 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.627 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 34.1 p90 -159.87 171.14 19.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 107.982 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.9 t -104.63 154.01 20.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.979 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -147.49 166.58 26.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 37.9 m-70 -67.32 -10.6 52.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.57 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -102.55 -28.21 12.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.302 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.66 -174.93 33.65 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.529 1.143 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.2 m -85.7 113.04 21.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 0.758 . . . . 0.0 110.417 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.627 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 13.2 mt -88.69 131.95 34.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.471 ' O ' ' HA ' ' A' ' 7' ' ' GLN . 10.6 mt -126.38 123.31 63.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.443 ' OE2' ' NZ ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -132.55 114.29 14.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.486 ' NH1' ' C ' ' A' ' 61' ' ' ASN . 12.2 mtm180 -126.64 160.61 30.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.666 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -173.22 -168.59 34.62 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.497 1.123 . . . . 0.0 111.014 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.0 m -85.41 151.33 24.07 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.403 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 95.45 -167.78 26.3 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.508 1.13 . . . . 0.0 110.966 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 36.7 t -145.25 74.18 14.21 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.658 ' O ' HD21 ' A' ' 51' ' ' LEU . 61.5 Cg_endo -69.82 -179.62 3.07 Favored 'Trans proline' 0 C--N 1.325 -0.706 0 C-N-CA 124.197 3.265 . . . . 0.0 110.825 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -113.81 140.79 48.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.831 HG13 HD22 ' A' ' 51' ' ' LEU . 14.4 m -114.28 161.6 12.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.479 ' HB3' ' CD ' ' A' ' 47' ' ' PRO . 10.2 mtpp -86.28 171.13 10.89 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.479 ' CD ' ' HB3' ' A' ' 46' ' ' LYS . 51.8 Cg_exo -58.92 133.03 50.99 Favored 'Trans proline' 0 C--N 1.324 -0.726 0 C-N-CA 124.306 3.337 . . . . 0.0 109.86 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.73 -35.34 5.05 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.5 t -81.28 146.85 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.562 0.801 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.6 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 52.2 m-80 -101.49 140.93 35.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.831 HD22 HG13 ' A' ' 45' ' ' VAL . 19.8 tp -141.07 140.15 34.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.611 ' H ' HD12 ' A' ' 51' ' ' LEU . 1.5 t-20 -139.38 119.64 13.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.338 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.466 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 61.5 m -110.12 146.06 36.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 108.312 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.5 p -153.42 162.65 41.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 108.347 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.499 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 39.0 mtt-85 -112.08 45.92 1.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.56 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -132.57 144.41 50.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.406 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.427 ' OD1' HD12 ' A' ' 1' ' ' LEU . 17.5 m-20 -61.12 139.35 58.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 40.83 39.47 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.257 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.56 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 21.2 p -86.11 -23.6 26.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 108.271 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.45 ' O ' ' NE ' ' A' ' 38' ' ' ARG . 28.1 p-10 -94.19 42.33 1.09 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.584 1.178 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.542 ' CB ' ' CD2' ' A' ' 4' ' ' HIS . 1.8 p-10 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 116.974 -1.489 . . . . 0.0 109.347 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.427 HD12 ' OD1' ' A' ' 57' ' ' ASP . 12.8 tp . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -110.46 145.08 38.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 110.289 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 1.132 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 12.1 m -137.39 137.23 38.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 108.364 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.516 ' HA ' ' O ' ' A' ' 13' ' ' THR . 36.6 m-70 -62.64 139.05 58.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.569 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.441 ' OD1' ' C ' ' A' ' 5' ' ' ASN . 4.4 p30 -120.22 9.41 11.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.45 ' O ' ' NH1' ' A' ' 38' ' ' ARG . 2.4 pt20 -67.32 141.94 56.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.452 ' O ' ' C ' ' A' ' 8' ' ' SER . 7.3 pt20 -106.66 157.43 17.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.267 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 7' ' ' GLN . 6.1 m 35.34 -133.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.997 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.3 m -91.32 -0.93 57.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.984 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.6 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 10.4 mm100 -44.45 168.78 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.6 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.5 Cg_exo -58.82 129.33 31.63 Favored 'Trans proline' 0 C--N 1.325 -0.681 0 C-N-CA 124.362 3.375 . . . . 0.0 109.911 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.7 Cg_exo -58.88 125.25 17.67 Favored 'Trans proline' 0 C--N 1.325 -0.698 0 C-N-CA 124.351 3.367 . . . . 0.0 109.865 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.516 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.1 p -132.58 174.82 9.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.371 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -145.58 156.59 43.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.4 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.0 mmmt -147.15 148.84 31.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.583 1.177 . . . . 0.0 109.329 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.6 m -77.78 128.22 33.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.392 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 1.132 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -81.29 122.12 27.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 108.324 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.1 t -102.63 116.38 32.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.051 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 78.13 -10.7 26.13 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.493 1.121 . . . . 0.0 110.965 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.499 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 6.7 mt-10 -103.6 159.88 15.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 0.787 . . . . 0.0 110.307 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.1 p -139.12 15.96 2.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.412 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.504 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 21.0 m-80 -135.33 155.3 50.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.492 ' O ' ' HA ' ' A' ' 53' ' ' CYS . 39.8 m -116.96 136.2 53.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 108.298 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.611 ' CE2' ' C ' ' A' ' 39' ' ' GLY . 16.8 p90 -115.44 153.86 30.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 111.013 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.494 ' HG3' ' CD ' ' A' ' 38' ' ' ARG . 32.9 tttm -141.2 118.6 11.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.917 ' CD ' HD13 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -109.82 141.7 42.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.607 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 22.6 p90 -159.44 142.75 14.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 107.986 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.617 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 39.4 p90 -157.07 168.86 26.22 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.5 t -105.3 149.82 25.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 110.025 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -145.55 165.96 27.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 34.4 p-80 -68.0 -9.3 44.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.586 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -102.37 -28.19 12.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 154.96 -174.86 33.15 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.546 1.154 . . . . 0.0 110.967 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.0 m -89.84 113.59 25.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 0.766 . . . . 0.0 110.445 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.617 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 18.2 mt -89.89 133.64 31.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.494 HG23 ' HB3' ' A' ' 27' ' ' TRP . 7.7 mt -129.92 123.69 57.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -128.34 114.61 17.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 110.272 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.494 ' CD ' ' HG3' ' A' ' 25' ' ' LYS . 15.1 mtt85 -118.35 160.61 21.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.257 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.611 ' C ' ' CE2' ' A' ' 24' ' ' TYR . . . -177.59 -174.26 43.79 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.404 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 21.0 m -86.71 151.72 23.16 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.405 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 95.94 -167.19 25.23 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.478 1.111 . . . . 0.0 111.024 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.413 ' HA ' ' HB3' ' A' ' 24' ' ' TYR . 39.6 t -146.61 74.67 12.44 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.565 ' O ' HD21 ' A' ' 51' ' ' LEU . 61.9 Cg_endo -69.83 178.27 4.79 Favored 'Trans proline' 0 C--N 1.325 -0.666 0 C-N-CA 124.179 3.252 . . . . 0.0 110.831 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.73 142.44 44.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.731 HG11 ' CG ' ' A' ' 26' ' ' LYS . 14.5 m -118.29 163.71 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.361 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.483 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 26.7 mttp -87.05 170.49 12.03 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.483 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 51.8 Cg_exo -58.93 134.8 62.49 Favored 'Trans proline' 0 C--N 1.325 -0.671 0 C-N-CA 124.372 3.381 . . . . 0.0 109.848 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.42 -35.56 4.88 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.457 1.098 . . . . 0.0 111.013 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.5 t -81.2 144.09 11.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 0.75 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.607 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 52.3 m-80 -98.73 140.16 33.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.917 HD13 ' CD ' ' A' ' 26' ' ' LYS . 15.1 tp -138.52 141.64 39.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.751 ' H ' HD12 ' A' ' 51' ' ' LEU . 9.7 t30 -139.25 117.34 11.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.492 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 69.4 m -111.59 143.64 42.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.11 . . . . 0.0 108.271 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.5 p -151.94 163.24 39.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 108.264 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.504 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 39.7 mtt180 -112.32 45.83 1.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.328 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.557 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -132.8 144.39 50.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.408 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.427 ' OD1' HD12 ' A' ' 1' ' ' LEU . 19.6 m-20 -61.39 139.87 58.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.2 mtt180 41.26 38.51 0.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.301 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.557 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 19.9 p -86.36 -23.67 26.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 108.304 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.479 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 25.7 p-10 -95.41 48.33 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.435 ' OD1' ' CE1' ' A' ' 4' ' ' HIS . 65.9 t30 . . . . . 0 C--O 1.25 1.128 0 CA-C-O 117.01 -1.472 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.483 HD12 ' OD1' ' A' ' 57' ' ' ASP . 15.5 tp . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.449 ' OE1' ' NE ' ' A' ' 58' ' ' ARG . 10.7 tt0 -109.8 148.74 30.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.27 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 1.168 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 10.2 m -140.39 139.91 35.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 108.33 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.559 ' CD2' ' HB2' ' A' ' 61' ' ' ASN . 35.1 m-70 -65.62 136.56 56.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.566 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.447 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 4.2 p-10 -118.85 15.27 13.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.416 ' CD ' ' HA ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -75.58 140.84 42.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.27 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.461 ' O ' ' C ' ' A' ' 8' ' ' SER . 29.4 mt-30 -106.89 161.92 14.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.461 ' C ' ' O ' ' A' ' 7' ' ' GLN . 4.2 m 34.74 -134.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.05 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.1 p -93.16 -0.16 57.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.947 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.578 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 2.0 mm100 -44.48 169.07 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.578 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.8 Cg_exo -58.91 128.44 27.97 Favored 'Trans proline' 0 C--N 1.326 -0.648 0 C-N-CA 124.34 3.36 . . . . 0.0 109.856 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.6 Cg_exo -58.93 125.57 18.58 Favored 'Trans proline' 0 C--N 1.325 -0.675 0 C-N-CA 124.32 3.347 . . . . 0.0 109.882 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.464 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.2 p -132.8 174.24 10.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.379 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.589 HG21 ' HD3' ' A' ' 58' ' ' ARG . 1.5 p -140.63 158.13 44.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.399 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.4 mtmt -149.42 148.4 29.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.2 m -78.07 135.27 37.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.451 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 1.168 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -89.15 122.01 32.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 108.278 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.0 p -102.57 116.44 32.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 110.033 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.52 -11.04 20.2 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.475 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 12.0 mt-10 -103.72 156.11 18.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 0.803 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.451 ' C ' ' CD2' ' A' ' 1' ' ' LEU . 4.6 p -135.1 15.73 3.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.387 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.481 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 24.7 m-80 -135.19 154.79 51.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.486 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 39.8 m -116.64 138.0 51.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 108.252 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.659 ' HB2' HD11 ' A' ' 51' ' ' LEU . 18.7 p90 -117.0 152.96 33.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 111.028 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -139.25 119.04 13.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.276 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.525 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 5.3 mtpp -109.33 142.15 40.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.597 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 26.2 p90 -160.14 143.78 14.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 108.032 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.628 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 32.0 p90 -160.03 170.94 20.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 107.975 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.7 p -104.79 152.39 22.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.011 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -145.86 167.04 24.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -67.12 -11.17 56.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.598 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -102.39 -28.18 12.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.342 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.34 -174.93 33.42 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.477 1.111 . . . . 0.0 111.018 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.1 m -86.35 115.46 23.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.754 . . . . 0.0 110.391 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.628 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 17.8 mt -90.79 136.98 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.533 HG23 ' HB3' ' A' ' 27' ' ' TRP . 6.9 mt -132.34 128.89 59.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -133.26 114.66 14.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.285 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.477 ' CZ ' ' OXT' ' A' ' 61' ' ' ASN . 12.7 mtt85 -115.61 160.6 19.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.611 ' C ' ' CE2' ' A' ' 24' ' ' TYR . . . -178.37 -177.35 47.0 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.535 1.147 . . . . 0.0 110.977 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.48 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 20.3 m -86.19 151.97 23.2 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.411 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 95.69 -168.04 26.15 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.447 1.092 . . . . 0.0 111.0 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.405 ' HA ' ' HB3' ' A' ' 24' ' ' TYR . 37.8 t -144.89 74.28 14.68 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.561 ' O ' HD21 ' A' ' 51' ' ' LEU . 62.0 Cg_endo -69.83 -179.69 3.12 Favored 'Trans proline' 0 C--N 1.325 -0.674 0 C-N-CA 124.167 3.245 . . . . 0.0 110.847 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.5 140.61 47.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.241 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.808 HG13 HD22 ' A' ' 51' ' ' LEU . 13.7 m -114.57 163.02 12.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.473 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 15.3 mtmt -86.56 170.0 13.59 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.473 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 51.9 Cg_exo -58.92 134.11 58.04 Favored 'Trans proline' 0 C--N 1.325 -0.677 0 C-N-CA 124.351 3.367 . . . . 0.0 109.828 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.49 -35.52 4.92 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.5 t -81.74 146.08 7.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.557 0.799 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.597 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 51.8 m-80 -100.21 142.69 31.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.808 HD22 HG13 ' A' ' 45' ' ' VAL . 34.9 tp -141.76 140.98 33.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.523 ' H ' HD12 ' A' ' 51' ' ' LEU . 3.0 t-20 -138.68 118.46 13.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 67.9 m -110.5 143.98 40.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 108.299 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.3 p -151.94 164.78 36.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 108.327 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.481 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 39.6 mtm180 -111.69 45.92 1.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.557 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.2 p -134.43 143.61 47.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 110.382 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.483 ' OD1' HD12 ' A' ' 1' ' ' LEU . 0.8 OUTLIER -62.53 141.85 58.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.589 ' HD3' HG21 ' A' ' 14' ' ' THR . 18.3 mtt85 42.81 35.15 0.67 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.557 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 16.4 p -86.51 -22.78 26.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 108.295 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.486 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 20.5 p-10 -95.6 49.49 1.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.559 ' HB2' ' CD2' ' A' ' 4' ' ' HIS . 1.7 t-20 . . . . . 0 C--O 1.25 1.107 0 CA-C-O 117.015 -1.469 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.428 HD12 ' OD1' ' A' ' 57' ' ' ASP . 13.5 tp . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.4 mp0 -111.65 146.35 37.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 1.081 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 12.4 m -136.68 137.23 39.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.163 . . . . 0.0 108.252 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.536 ' CD2' ' HB2' ' A' ' 61' ' ' ASN . 34.0 m-70 -60.5 146.3 45.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.621 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.428 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 4.5 p-10 -131.3 15.08 5.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.445 ' NE2' ' OD1' ' A' ' 61' ' ' ASN . 27.9 pt20 -65.32 143.3 57.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.549 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 3.7 tp-100 -106.83 132.57 52.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.447 ' N ' ' OE1' ' A' ' 7' ' ' GLN . 14.7 m 52.47 -129.69 2.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.017 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.0 m -92.3 1.09 57.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.993 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.649 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 9.0 mm-40 -46.21 169.12 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 110.305 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.649 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.7 Cg_exo -58.97 132.95 50.4 Favored 'Trans proline' 0 C--N 1.325 -0.709 0 C-N-CA 124.348 3.366 . . . . 0.0 109.871 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 52.0 Cg_exo -58.91 122.5 11.72 Favored 'Trans proline' 0 C--N 1.325 -0.708 0 C-N-CA 124.376 3.384 . . . . 0.0 109.869 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.486 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.0 p -132.52 172.99 11.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.37 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.471 HG21 ' NE ' ' A' ' 58' ' ' ARG . 2.0 p -145.58 157.79 43.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 110.399 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.45 149.54 34.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.4 m -77.12 132.85 39.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 110.405 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 1.081 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -87.33 121.93 30.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 108.34 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.9 t -102.86 116.28 32.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.158 . . . . 0.0 110.027 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 78.05 -10.82 25.0 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.548 1.155 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.489 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 10.3 mt-10 -103.56 156.2 17.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 0.764 . . . . 0.0 110.26 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.1 p -135.39 15.54 3.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.164 . . . . 0.0 110.359 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.492 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 24.2 m-80 -134.43 154.95 51.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 109.289 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.464 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 51.6 m -117.5 138.51 51.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 108.314 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.686 ' HB2' HD11 ' A' ' 51' ' ' LEU . 12.4 p90 -118.14 149.88 40.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 111.042 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.543 ' HE3' ' CZ3' ' A' ' 27' ' ' TRP . 21.6 ttpt -136.37 118.35 15.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.594 ' HG2' HD13 ' A' ' 51' ' ' LEU . 9.5 mttt -109.48 142.24 40.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.585 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 25.5 p90 -158.27 144.92 17.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 107.986 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.632 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 39.4 p90 -160.01 169.88 22.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 107.984 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.1 t -105.18 151.61 23.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.998 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.488 ' OD2' ' CD1' ' A' ' 35' ' ' ILE . 94.4 m-20 -145.7 166.77 24.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -67.52 -9.95 47.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.627 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -102.48 -28.41 12.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 154.84 -174.94 33.06 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.474 1.109 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.1 m -85.86 116.51 24.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 0.747 . . . . 0.0 110.422 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.632 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 15.7 mt -93.23 135.82 26.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.668 HG21 ' NH1' ' A' ' 38' ' ' ARG . 7.8 mt -129.92 122.7 55.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -123.93 113.85 19.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.668 ' NH1' HG21 ' A' ' 36' ' ' ILE . 23.8 mtt85 -116.14 160.35 20.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.658 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -178.6 179.69 48.65 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.499 1.124 . . . . 0.0 111.021 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.0 m -84.57 151.49 24.51 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.4 -165.51 25.0 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.463 1.102 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 35.2 t -144.85 73.66 14.91 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.623 ' O ' HD21 ' A' ' 51' ' ' LEU . 61.6 Cg_endo -69.8 -179.24 2.79 Favored 'Trans proline' 0 C--N 1.325 -0.686 0 C-N-CA 124.223 3.282 . . . . 0.0 110.834 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.9 ptmt -114.85 140.79 48.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.78 HG13 HD22 ' A' ' 51' ' ' LEU . 18.9 m -113.75 163.48 10.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.466 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 15.6 mttm -85.33 169.76 15.18 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.466 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 51.6 Cg_exo -58.9 133.95 57.03 Favored 'Trans proline' 0 C--N 1.325 -0.71 0 C-N-CA 124.333 3.355 . . . . 0.0 109.873 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.18 -35.21 5.1 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.517 1.136 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.468 HG13 ' CE3' ' A' ' 28' ' ' TRP . 2.6 t -81.75 146.05 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.585 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 53.1 m-80 -99.54 144.54 28.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.78 HD22 HG13 ' A' ' 45' ' ' VAL . 25.3 tp -144.63 139.92 28.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.338 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.563 ' H ' HD12 ' A' ' 51' ' ' LEU . 1.6 t-20 -138.81 120.03 14.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.454 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 61.2 m -109.76 145.0 37.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 108.284 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 p -153.9 164.22 38.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 108.314 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.492 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 48.4 mtt180 -111.7 45.79 1.19 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.58 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -132.2 144.18 50.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.436 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.428 ' OD1' HD12 ' A' ' 1' ' ' LEU . 19.7 m-20 -61.33 140.27 58.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.471 ' NE ' HG21 ' A' ' 14' ' ' THR . 24.0 mtt180 41.43 37.46 0.67 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.143 . . . . 0.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.58 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 16.7 p -86.98 -22.03 25.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 108.328 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.464 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 17.8 p-10 -95.3 48.19 1.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.536 ' HB2' ' CD2' ' A' ' 4' ' ' HIS . 12.9 t30 . . . . . 0 C--O 1.25 1.09 0 CA-C-O 116.997 -1.478 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.423 HD12 ' OD1' ' A' ' 57' ' ' ASP . 12.8 tp . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -109.72 145.89 35.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.343 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.14 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 11.1 m -137.71 137.27 38.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 108.334 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.561 ' CD2' ' HB3' ' A' ' 61' ' ' ASN . 35.4 m-70 -62.31 138.64 58.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.592 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.44 ' OD1' ' C ' ' A' ' 5' ' ' ASN . 4.7 p30 -120.87 10.21 10.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -68.25 141.39 55.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.455 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 2.1 mm-40 -106.63 159.07 16.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.323 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 7' ' ' GLN . 3.6 m 35.49 -135.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.988 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 10' ' ' GLN . 66.7 m -90.8 -1.04 57.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.999 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.594 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 36.1 mm-40 -44.24 168.83 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.336 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.594 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.8 Cg_exo -58.92 131.68 43.19 Favored 'Trans proline' 0 C--N 1.325 -0.699 0 C-N-CA 124.369 3.379 . . . . 0.0 109.872 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.6 Cg_exo -58.86 126.57 21.54 Favored 'Trans proline' 0 C--N 1.325 -0.669 0 C-N-CA 124.343 3.362 . . . . 0.0 109.89 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.504 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.0 p -132.85 174.47 10.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.419 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.437 HG21 ' NE ' ' A' ' 58' ' ' ARG . 2.2 p -145.52 157.85 43.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.168 . . . . 0.0 110.41 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.411 ' HD3' ' N ' ' A' ' 16' ' ' THR . 6.3 tmtt? -149.0 148.93 30.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.411 ' N ' ' HD3' ' A' ' 15' ' ' LYS . 3.7 m -77.62 132.9 38.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.407 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 1.14 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -87.04 121.9 30.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 108.312 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.6 t -102.91 116.49 32.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 109.96 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 78.81 -11.11 28.76 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.498 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 14.9 mt-10 -103.33 159.88 15.18 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.52 0.776 . . . . 0.0 110.254 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.2 p -138.91 15.46 2.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 110.44 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.501 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 22.8 m-80 -134.92 155.12 51.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.478 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 52.8 m -117.2 137.18 52.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 108.348 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.657 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 12.5 p90 -116.9 152.91 33.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.468 ' HG2' ' CE3' ' A' ' 27' ' ' TRP . 20.4 ttpp -139.44 117.9 12.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.57 ' HG2' HD13 ' A' ' 51' ' ' LEU . 8.3 mtmt -109.3 141.76 41.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.579 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 27.9 p90 -159.3 144.83 16.01 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.642 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 37.9 p90 -160.43 170.09 21.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 107.97 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.4 m -104.97 153.72 21.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 109.986 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.492 ' OD2' ' CD1' ' A' ' 35' ' ' ILE . 87.6 m-20 -147.93 166.94 26.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 31.1 m80 -67.19 -10.59 52.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.639 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.8 ttp85 -102.4 -28.17 12.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.12 -174.92 33.26 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.48 1.113 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.5 m -87.11 114.27 23.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 0.79 . . . . 0.0 110.398 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.642 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 15.6 mt -89.85 134.61 28.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.536 HG23 ' HB3' ' A' ' 27' ' ' TRP . 8.0 mt -130.14 124.18 57.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.432 ' HB3' ' CE ' ' A' ' 26' ' ' LYS . 35.1 tp10 -129.44 114.49 16.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.454 ' NH1' ' C ' ' A' ' 61' ' ' ASN . 50.5 mtt180 -119.73 160.43 22.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.657 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -176.73 -176.05 44.56 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.522 1.139 . . . . 0.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.0 m -84.21 151.58 24.75 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.68 -165.9 24.87 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.527 1.142 . . . . 0.0 110.959 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 36.9 t -145.93 74.03 13.4 Favored Pre-proline 0 C--N 1.325 -0.461 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.631 ' O ' HD21 ' A' ' 51' ' ' LEU . 61.5 Cg_endo -69.81 -179.49 2.97 Favored 'Trans proline' 0 C--N 1.325 -0.694 0 C-N-CA 124.173 3.249 . . . . 0.0 110.831 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.2 tptp -114.87 140.51 48.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.802 HG13 HD22 ' A' ' 51' ' ' LEU . 18.2 m -113.89 163.41 11.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.471 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 21.3 mttp -85.5 169.92 14.59 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.471 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 52.0 Cg_exo -58.94 133.76 55.72 Favored 'Trans proline' 0 C--N 1.324 -0.731 0 C-N-CA 124.382 3.388 . . . . 0.0 109.834 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.39 -35.24 5.1 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.506 1.128 . . . . 0.0 111.025 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.462 HG13 ' CE3' ' A' ' 28' ' ' TRP . 2.5 t -81.47 145.86 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 0.759 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.579 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 51.9 m-80 -98.91 143.75 28.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.802 HD22 HG13 ' A' ' 45' ' ' VAL . 21.7 tp -144.14 139.28 28.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.565 ' H ' HD12 ' A' ' 51' ' ' LEU . 8.3 t30 -138.4 120.49 15.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.362 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.459 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 65.8 m -111.36 145.06 39.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 108.28 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 p -153.33 163.78 39.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 108.257 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.501 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 31.2 mtp180 -111.95 45.76 1.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.133 . . . . 0.0 110.34 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.565 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -132.38 144.27 50.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.414 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.423 ' OD1' HD12 ' A' ' 1' ' ' LEU . 19.6 m-20 -61.4 139.82 58.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.437 ' NE ' HG21 ' A' ' 14' ' ' THR . 20.0 mtt180 41.53 38.56 0.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.565 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 18.6 p -87.12 -23.08 24.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 108.316 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.478 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 22.2 p-10 -95.1 46.79 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.561 ' HB3' ' CD2' ' A' ' 4' ' ' HIS . 3.2 p30 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 116.992 -1.48 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.427 HD12 ' OD1' ' A' ' 57' ' ' ASP . 12.8 tp . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -109.04 144.65 36.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 110.273 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.149 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 10.9 m -137.48 137.2 38.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 108.288 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.51 ' HA ' ' O ' ' A' ' 13' ' ' THR . 37.7 m-70 -62.89 139.76 58.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.626 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.592 ' ND2' ' C ' ' A' ' 5' ' ' ASN . 0.1 OUTLIER -121.22 9.52 10.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.72 139.28 57.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.33 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.453 ' O ' ' C ' ' A' ' 8' ' ' SER . 0.6 OUTLIER -106.33 161.53 14.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 7' ' ' GLN . 6.6 m 35.04 -132.4 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.977 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.5 m -95.06 -1.03 53.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.991 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.565 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 2.7 mt-30 -44.7 168.86 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 110.318 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.565 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.8 Cg_exo -58.94 130.6 37.39 Favored 'Trans proline' 0 C--N 1.325 -0.705 0 C-N-CA 124.341 3.36 . . . . 0.0 109.855 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.8 Cg_exo -58.92 126.79 22.14 Favored 'Trans proline' 0 C--N 1.325 -0.683 0 C-N-CA 124.357 3.372 . . . . 0.0 109.914 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.51 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.0 p -132.66 174.71 10.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.406 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 p -145.5 156.48 43.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 110.429 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.3 mtpt -147.43 149.26 32.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.444 1.09 . . . . 0.0 109.328 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.6 m -77.35 130.95 37.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.413 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 1.149 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.8 m -85.62 121.94 29.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 108.269 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.5 t -103.3 116.9 33.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.007 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 79.42 -10.88 34.17 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.484 1.115 . . . . 0.0 110.954 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.507 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 5.1 mt-10 -103.08 161.2 13.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 0.742 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.6 p -140.53 15.34 2.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.381 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.499 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 22.8 m-80 -135.64 154.89 51.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.489 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 51.5 m -117.38 138.28 51.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 108.286 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.677 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 12.1 p90 -117.96 153.33 33.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.093 . . . . 0.0 111.001 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.558 ' HE3' ' CZ3' ' A' ' 27' ' ' TRP . 17.5 ttpt -139.7 117.68 11.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.621 ' HG2' HD13 ' A' ' 51' ' ' LEU . 12.9 mtmt -109.36 142.75 39.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.57 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 24.3 p90 -160.12 144.38 14.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 108.011 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.625 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 35.3 p90 -162.13 171.02 18.12 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.9 t -102.66 153.18 20.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -146.36 166.46 26.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 15.1 p-80 -66.77 -11.3 54.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.608 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 64.1 mtt180 -102.47 -28.15 12.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.301 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.21 -174.92 33.33 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.2 m -82.92 113.13 20.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 0.794 . . . . 0.0 110.358 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.625 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 11.2 mt -88.81 131.51 36.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.514 HG21 HH21 ' A' ' 38' ' ' ARG . 11.1 mt -126.66 122.4 60.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.396 1.06 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 65.5 tt0 -129.08 114.3 16.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.271 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.514 HH21 HG21 ' A' ' 36' ' ' ILE . 45.8 mtt180 -124.98 161.0 27.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.677 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -176.15 -172.68 41.12 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.567 1.167 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.7 m -84.0 150.95 25.29 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.5 -165.67 24.97 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 35.8 t -145.4 74.34 13.99 Favored Pre-proline 0 C--N 1.325 -0.465 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.651 ' O ' HD21 ' A' ' 51' ' ' LEU . 61.6 Cg_endo -69.81 -179.14 2.73 Favored 'Trans proline' 0 C--N 1.325 -0.686 0 C-N-CA 124.205 3.27 . . . . 0.0 110.846 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.95 140.97 48.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.254 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.813 HG13 HD22 ' A' ' 51' ' ' LEU . 17.0 m -113.67 162.32 11.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.472 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 29.3 mtmt -85.61 170.38 13.21 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.472 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 51.7 Cg_exo -58.83 133.21 52.37 Favored 'Trans proline' 0 C--N 1.325 -0.674 0 C-N-CA 124.359 3.373 . . . . 0.0 109.855 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.39 -35.24 5.1 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.527 1.142 . . . . 0.0 110.983 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.528 HG13 ' CE3' ' A' ' 28' ' ' TRP . 2.6 t -81.49 147.21 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 0.749 . . . . 0.0 109.257 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.57 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 53.0 m-80 -100.78 144.33 29.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.337 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.813 HD22 HG13 ' A' ' 45' ' ' VAL . 18.1 tp -144.49 139.76 28.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.633 ' H ' HD12 ' A' ' 51' ' ' LEU . 7.5 t30 -138.72 120.44 15.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.469 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 63.2 m -111.16 146.1 37.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 108.265 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 p -153.97 163.89 39.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 108.299 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.499 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 16.2 mtt85 -112.06 46.05 1.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.33 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.565 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -133.04 144.48 50.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.351 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.427 ' OD1' HD12 ' A' ' 1' ' ' LEU . 19.5 m-20 -61.19 140.19 57.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.2 mtt180 41.02 38.24 0.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.306 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.565 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 18.9 p -86.33 -21.68 27.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 108.294 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.489 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 25.6 p-10 -95.18 47.26 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.448 ' OXT' ' NH1' ' A' ' 38' ' ' ARG . 52.7 t30 . . . . . 0 C--O 1.25 1.125 0 CA-C-O 117.003 -1.475 . . . . 0.0 109.326 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.423 HD12 ' OD1' ' A' ' 57' ' ' ASP . 13.2 tp . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -111.05 145.62 38.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.178 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 10.0 m -137.39 137.45 38.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 0.0 108.305 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.506 ' HA ' ' O ' ' A' ' 13' ' ' THR . 37.0 m-70 -62.64 139.96 58.67 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 109.621 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.592 ' ND2' ' C ' ' A' ' 5' ' ' ASN . 0.1 OUTLIER -121.62 9.41 10.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.448 ' O ' ' NH1' ' A' ' 38' ' ' ARG . 2.1 pt20 -66.78 140.89 57.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.442 ' O ' ' C ' ' A' ' 8' ' ' SER . 23.4 mp0 -106.31 156.74 18.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.284 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 7' ' ' GLN . 5.5 m 36.04 -133.41 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.03 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.9 m -91.33 -1.29 57.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.598 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 10.4 mm100 -44.47 168.71 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.598 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.7 Cg_exo -58.95 128.98 29.85 Favored 'Trans proline' 0 C--N 1.325 -0.7 0 C-N-CA 124.329 3.353 . . . . 0.0 109.877 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.7 Cg_exo -58.93 125.48 18.32 Favored 'Trans proline' 0 C--N 1.324 -0.717 0 C-N-CA 124.344 3.363 . . . . 0.0 109.862 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.506 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.0 p -132.48 174.85 9.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.41 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -145.3 156.76 44.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.405 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.5 mttt -146.93 149.06 32.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.7 m -77.71 127.71 32.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 110.405 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 1.178 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -81.2 122.03 26.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 0.0 108.285 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.9 p -102.66 116.63 32.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.59 1.181 . . . . 0.0 110.004 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 78.35 -11.34 24.7 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.565 1.166 . . . . 0.0 110.993 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.487 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 10.2 mt-10 -103.49 156.57 17.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.272 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.9 p -135.65 15.76 3.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.377 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.499 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 23.1 m-80 -134.98 155.03 51.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.476 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 52.0 m -117.32 137.6 52.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 108.297 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.659 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 12.7 p90 -117.26 153.19 33.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.479 ' HG3' ' CD ' ' A' ' 38' ' ' ARG . 24.1 ttpt -140.39 117.62 11.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.594 ' HG2' HD13 ' A' ' 51' ' ' LEU . 6.9 mttt -109.26 142.63 39.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.583 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 25.4 p90 -159.29 144.67 15.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 108.002 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.626 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 36.6 p90 -161.3 171.03 19.05 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 96.9 p -103.82 152.98 21.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.014 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -146.57 166.97 24.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -67.28 -11.07 56.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.585 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.0 mmm-85 -102.37 -28.13 12.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.07 -174.99 33.22 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.486 1.116 . . . . 0.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.8 m -84.24 113.61 21.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 0.758 . . . . 0.0 110.432 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.626 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 13.5 mt -89.3 132.69 33.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.519 HG23 ' HB3' ' A' ' 27' ' ' TRP . 8.1 mt -128.99 122.64 57.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -126.87 114.31 17.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.326 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.479 ' CD ' ' HG3' ' A' ' 25' ' ' LYS . 12.7 mtt85 -118.99 160.74 21.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.659 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -177.99 -176.25 45.81 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.469 1.105 . . . . 0.0 111.025 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.434 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 19.0 m -85.04 152.02 23.74 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.402 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 95.62 -165.63 24.79 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 37.3 t -145.98 73.47 13.46 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.628 ' O ' HD21 ' A' ' 51' ' ' LEU . 61.8 Cg_endo -69.79 -179.28 2.81 Favored 'Trans proline' 0 C--N 1.325 -0.669 0 C-N-CA 124.188 3.259 . . . . 0.0 110.83 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.0 140.63 48.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.788 HG13 HD22 ' A' ' 51' ' ' LEU . 18.7 m -113.74 163.56 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.468 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 22.5 mtpt -85.44 169.78 15.03 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.468 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 51.8 Cg_exo -58.86 133.88 56.65 Favored 'Trans proline' 0 C--N 1.325 -0.677 0 C-N-CA 124.402 3.401 . . . . 0.0 109.845 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.2 -35.15 5.15 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.523 1.139 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.502 HG13 ' CE3' ' A' ' 28' ' ' TRP . 2.6 t -81.63 146.26 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.56 0.8 . . . . 0.0 109.327 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.583 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 52.7 m-80 -99.22 144.85 27.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.788 HD22 HG13 ' A' ' 45' ' ' VAL . 22.4 tp -145.15 139.66 27.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.576 ' H ' HD12 ' A' ' 51' ' ' LEU . 2.1 t30 -138.74 120.92 15.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.359 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.466 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 63.6 m -111.37 145.25 39.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 108.275 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 p -152.98 163.72 39.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 108.32 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.499 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 14.3 mtm-85 -112.2 46.06 1.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.337 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.568 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -133.02 144.26 49.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.398 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.423 ' OD1' HD12 ' A' ' 1' ' ' LEU . 20.2 m-20 -61.26 140.39 57.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.1 mtt180 41.1 37.82 0.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.568 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 18.1 p -86.37 -23.31 26.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 0.0 108.325 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.476 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 19.4 p-10 -95.47 48.81 1.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 . . . . . 0 C--O 1.25 1.127 0 CA-C-O 116.989 -1.482 . . . . 0.0 109.317 179.973 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.423 HD12 ' OD1' ' A' ' 57' ' ' ASP . 13.1 tp . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 33.8 mp0 -111.08 145.68 38.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.154 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 10.5 m -137.57 137.55 38.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 108.311 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.504 ' HA ' ' O ' ' A' ' 13' ' ' THR . 37.3 m-70 -62.94 136.96 58.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.584 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.441 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 4.4 p-10 -119.61 15.11 12.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.26 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.451 ' O ' ' NH1' ' A' ' 38' ' ' ARG . 2.0 pt20 -72.83 141.65 48.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.5 ' CG ' ' N ' ' A' ' 8' ' ' SER . 21.2 tt0 -106.61 159.41 16.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.5 ' N ' ' CG ' ' A' ' 7' ' ' GLN . 4.9 m 34.81 -133.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.999 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.9 p -92.58 -0.69 57.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.013 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.585 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 2.3 mm100 -44.42 169.15 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.585 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.8 Cg_exo -58.93 128.06 26.58 Favored 'Trans proline' 0 C--N 1.324 -0.726 0 C-N-CA 124.395 3.396 . . . . 0.0 109.856 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.9 Cg_exo -58.85 125.69 18.97 Favored 'Trans proline' 0 C--N 1.325 -0.682 0 C-N-CA 124.339 3.36 . . . . 0.0 109.874 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.504 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.1 p -132.7 175.11 9.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.41 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 p -144.26 157.86 44.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.411 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.7 tptt -148.79 149.07 30.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.347 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.6 m -77.44 130.07 36.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.415 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 1.154 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -83.7 122.13 28.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 108.279 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 89.7 p -102.82 116.62 32.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.965 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 78.87 -11.21 28.78 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.502 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 5.7 mt-10 -103.35 159.4 15.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 0.754 . . . . 0.0 110.296 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.1 p -138.53 15.51 2.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.407 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.501 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 23.0 m-80 -135.46 155.14 51.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.477 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 50.5 m -117.26 137.47 52.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 108.293 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.641 ' HB2' HD11 ' A' ' 51' ' ' LEU . 16.9 p90 -117.79 153.32 33.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.975 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.489 ' HG3' ' CD ' ' A' ' 38' ' ' ARG . 36.9 tttm -140.77 118.72 11.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.565 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 0.2 OUTLIER -110.14 143.31 40.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.58 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 25.7 p90 -159.53 144.74 15.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 108.029 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.619 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 34.1 p90 -161.7 171.09 18.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 107.983 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 94.8 p -103.43 152.59 21.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.95 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.418 ' OD1' ' CD1' ' A' ' 28' ' ' TRP . 1.4 m-20 -145.93 166.99 24.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.353 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 41.1 p-80 -67.08 -11.19 56.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.544 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -102.43 -28.23 12.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 110.333 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.0 -175.05 33.15 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.12 . . . . 0.0 111.001 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.1 m -83.61 113.81 21.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.767 . . . . 0.0 110.411 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.619 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 13.7 mt -89.42 132.84 33.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.47 HG23 ' HB3' ' A' ' 27' ' ' TRP . 8.7 mt -128.6 123.52 59.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -128.03 114.32 16.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 110.333 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.489 ' CD ' ' HG3' ' A' ' 25' ' ' LYS . 12.3 mtt85 -119.49 160.86 21.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.262 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.635 ' C ' ' CE2' ' A' ' 24' ' ' TYR . . . -178.39 -175.86 45.84 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.545 1.153 . . . . 0.0 110.985 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.418 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 20.4 m -85.24 151.94 23.7 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.403 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 95.73 -166.37 25.05 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.13 . . . . 0.0 111.034 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.42 ' HA ' ' HB3' ' A' ' 24' ' ' TYR . 37.3 t -145.29 73.76 14.25 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.642 ' O ' HD21 ' A' ' 51' ' ' LEU . 61.5 Cg_endo -69.75 -179.44 2.91 Favored 'Trans proline' 0 C--N 1.324 -0.711 0 C-N-CA 124.199 3.266 . . . . 0.0 110.874 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.0 ptpt -115.28 140.74 48.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.797 HG13 HD22 ' A' ' 51' ' ' LEU . 18.3 m -113.93 163.54 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.473 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 28.8 mtpt -85.59 169.96 14.41 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.341 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.473 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 51.7 Cg_exo -58.88 133.77 55.89 Favored 'Trans proline' 0 C--N 1.324 -0.714 0 C-N-CA 124.422 3.414 . . . . 0.0 109.876 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.36 -35.27 5.08 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.522 1.139 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.458 HG13 ' CE3' ' A' ' 28' ' ' TRP . 2.6 t -81.5 146.7 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 0.76 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.58 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 53.1 m-80 -99.86 144.34 29.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.256 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.797 HD22 HG13 ' A' ' 45' ' ' VAL . 27.0 tp -145.21 139.77 27.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.55 ' H ' HD12 ' A' ' 51' ' ' LEU . 3.2 t-20 -139.04 121.75 16.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 62.2 m -111.89 145.86 38.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 108.269 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 p -153.46 163.6 39.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 108.28 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.501 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 39.5 mtt180 -112.12 45.96 1.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 110.284 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.567 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -132.73 144.31 50.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.416 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.423 ' OD1' HD12 ' A' ' 1' ' ' LEU . 19.9 m-20 -61.37 140.24 58.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.401 ' O ' ' ND2' ' A' ' 61' ' ' ASN . 14.7 mtt180 41.3 37.81 0.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.567 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 18.1 p -86.4 -23.33 26.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 108.299 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.477 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 19.1 p-10 -95.49 49.11 1.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.455 ' O ' ' CZ ' ' A' ' 38' ' ' ARG . 1.6 m120 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 117.045 -1.455 . . . . 0.0 109.34 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.421 HD12 ' OD1' ' A' ' 57' ' ' ASP . 13.1 tp . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -110.44 145.55 37.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 110.291 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.168 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 10.7 m -137.38 137.35 38.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 108.293 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.509 ' HA ' ' O ' ' A' ' 13' ' ' THR . 37.7 m-70 -62.86 139.18 58.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.599 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.441 ' OD1' ' C ' ' A' ' 5' ' ' ASN . 4.6 p30 -120.99 10.31 10.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.448 ' O ' ' NH1' ' A' ' 38' ' ' ARG . 2.1 pt20 -67.28 141.21 57.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.491 ' CG ' ' N ' ' A' ' 8' ' ' SER . 22.8 tt0 -106.56 159.01 16.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.491 ' N ' ' CG ' ' A' ' 7' ' ' GLN . 5.7 m 34.66 -133.06 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.036 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.3 m -92.64 -1.39 56.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 110.016 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.579 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 2.1 mm100 -44.44 169.14 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.282 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.579 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.7 Cg_exo -58.99 129.47 32.07 Favored 'Trans proline' 0 C--N 1.325 -0.69 0 C-N-CA 124.322 3.348 . . . . 0.0 109.883 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.9 Cg_exo -58.86 126.41 21.08 Favored 'Trans proline' 0 C--N 1.325 -0.699 0 C-N-CA 124.349 3.366 . . . . 0.0 109.856 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.509 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.0 p -132.42 175.13 9.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.383 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -145.19 157.31 44.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 110.372 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.6 tptt -147.81 148.76 31.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.5 m -77.76 128.76 34.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 0.0 110.364 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 1.168 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -82.14 122.08 27.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 108.277 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 m -102.53 116.54 32.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.038 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.73 -10.9 22.34 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.537 1.148 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.484 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 10.8 mt-10 -103.69 157.08 17.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.777 . . . . 0.0 110.318 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.2 p -136.19 15.9 3.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.083 . . . . 0.0 110.426 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.499 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 22.3 m-80 -134.97 155.19 51.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.481 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 46.2 m -117.54 136.83 52.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 108.296 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.686 ' HB2' HD11 ' A' ' 51' ' ' LEU . 13.0 p90 -116.1 151.21 36.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.473 ' HG3' ' CD ' ' A' ' 38' ' ' ARG . 5.7 ttpm? -136.19 117.14 14.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.582 ' HD2' ' CZ3' ' A' ' 28' ' ' TRP . 2.2 ttmm -108.98 141.67 40.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.611 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 22.8 p90 -160.62 143.63 13.21 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.59 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 29.0 p90 -159.7 171.13 20.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 108.032 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 84.6 p -104.43 152.85 21.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.964 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -146.45 166.96 24.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.4 ' N ' ' ND1' ' A' ' 31' ' ' HIS . 1.0 OUTLIER -67.5 -10.41 51.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.613 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -102.51 -28.18 12.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.313 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.11 -174.88 33.26 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.482 1.114 . . . . 0.0 111.019 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.1 m -85.23 113.37 21.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 110.399 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.59 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 13.6 mt -89.87 132.91 33.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.49 HG23 ' HB3' ' A' ' 27' ' ' TRP . 9.1 mt -127.96 124.19 62.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -128.87 114.24 16.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.334 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.474 ' CD ' ' O ' ' A' ' 60' ' ' ASN . 13.5 mtt85 -119.02 160.78 21.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.655 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -177.45 -177.07 46.04 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.525 1.141 . . . . 0.0 111.014 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.451 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 19.0 m -84.34 151.97 24.4 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.415 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 95.62 -166.98 25.5 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.529 1.143 . . . . 0.0 110.933 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 37.6 t -145.91 74.28 13.37 Favored Pre-proline 0 C--N 1.326 -0.431 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.573 ' O ' HD21 ' A' ' 51' ' ' LEU . 61.6 Cg_endo -69.86 178.28 4.79 Favored 'Trans proline' 0 C--N 1.325 -0.67 0 C-N-CA 124.169 3.246 . . . . 0.0 110.798 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.05 139.77 46.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.859 HG13 HD22 ' A' ' 51' ' ' LEU . 11.8 m -114.77 161.97 13.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.477 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 12.9 mtpp -86.72 170.28 12.78 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.477 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 51.8 Cg_exo -58.95 134.58 61.03 Favored 'Trans proline' 0 C--N 1.325 -0.675 0 C-N-CA 124.319 3.346 . . . . 0.0 109.877 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.28 -35.46 4.94 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.509 HG11 ' HD3' ' A' ' 26' ' ' LYS . 2.5 t -82.0 145.56 8.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.495 0.762 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.611 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 52.4 m-80 -99.78 141.48 32.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.859 HD22 HG13 ' A' ' 45' ' ' VAL . 36.0 tp -141.74 140.39 33.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.497 ' H ' HD12 ' A' ' 51' ' ' LEU . 12.2 t-20 -138.66 118.13 12.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 64.4 m -109.86 145.36 36.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 108.306 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 p -153.48 163.4 40.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 108.331 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.499 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 24.1 mtp180 -112.21 46.13 1.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.561 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -133.37 144.33 49.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 110.398 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.421 ' OD1' HD12 ' A' ' 1' ' ' LEU . 20.1 m-20 -61.26 140.41 57.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.545 ' O ' ' ND2' ' A' ' 61' ' ' ASN . 24.1 mtt180 40.98 38.06 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.561 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 19.2 p -86.17 -23.4 26.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 108.328 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.481 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 23.7 p-10 -95.44 48.7 1.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.545 ' ND2' ' O ' ' A' ' 58' ' ' ARG . 6.2 m120 . . . . . 0 C--O 1.25 1.124 0 CA-C-O 116.971 -1.49 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.423 HD12 ' OD1' ' A' ' 57' ' ' ASP . 13.0 tp . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -111.49 146.09 37.88 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.49 1.119 . . . . 0.0 110.256 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.154 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 11.0 m -137.16 137.53 39.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 108.241 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.55 ' CD2' ' HB3' ' A' ' 61' ' ' ASN . 36.5 m-70 -62.21 136.36 57.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.609 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.44 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 4.8 p-10 -119.59 14.93 12.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.413 ' CD ' ' HA ' ' A' ' 12' ' ' PRO . 2.6 pt20 -75.0 142.11 43.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.459 ' O ' ' C ' ' A' ' 8' ' ' SER . 0.3 OUTLIER -106.7 160.16 15.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.11 . . . . 0.0 110.263 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.459 ' C ' ' O ' ' A' ' 7' ' ' GLN . 3.7 m 35.11 -135.21 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.017 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 10' ' ' GLN . 75.3 p -91.41 0.06 57.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.969 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.598 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 37.4 mm-40 -44.28 169.13 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 110.277 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.598 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 52.0 Cg_exo -58.93 128.8 29.23 Favored 'Trans proline' 0 C--N 1.325 -0.685 0 C-N-CA 124.35 3.367 . . . . 0.0 109.813 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.6 Cg_exo -58.85 124.59 16.07 Favored 'Trans proline' 0 C--N 1.325 -0.703 0 C-N-CA 124.377 3.384 . . . . 0.0 109.906 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.493 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.1 p -132.79 174.3 10.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 110.407 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.443 HG21 ' NE ' ' A' ' 58' ' ' ARG . 2.2 p -144.82 158.07 43.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.406 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.7 ttmt -148.09 148.98 31.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.9 m -77.53 128.85 34.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 110.367 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 1.154 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -82.2 122.24 27.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 108.347 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.5 p -102.53 116.49 32.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 110.001 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 78.39 -11.45 24.51 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.518 1.136 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.489 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 9.9 mt-10 -103.53 157.39 17.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 110.277 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.3 p -136.56 15.79 3.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.417 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.499 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 22.9 m-80 -135.15 154.87 51.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.48 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 50.9 m -117.09 137.63 52.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 108.293 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.663 ' HB2' HD11 ' A' ' 51' ' ' LEU . 12.9 p90 -117.39 150.77 38.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.443 ' HE2' ' CZ3' ' A' ' 27' ' ' TRP . 3.4 ttpm? -137.25 116.48 12.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.636 ' CE ' HG11 ' A' ' 49' ' ' VAL . 27.4 tttt -109.36 143.18 39.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.592 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 26.7 p90 -159.36 144.32 15.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 107.958 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.615 ' CH2' HG22 ' A' ' 35' ' ' ILE . 18.3 p90 -159.16 171.11 20.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 107.983 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.7 p -103.77 152.51 21.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 110.036 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -144.81 167.02 23.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -67.08 -10.55 51.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.636 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 57.2 mtp180 -102.44 -28.25 12.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.279 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 154.86 -175.12 33.02 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.501 1.126 . . . . 0.0 110.963 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.4 m -82.68 115.04 21.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 0.778 . . . . 0.0 110.377 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.615 HG22 ' CH2' ' A' ' 28' ' ' TRP . 14.6 mt -92.74 134.54 30.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.582 HG23 ' HB3' ' A' ' 27' ' ' TRP . 7.1 mt -129.5 127.11 64.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -130.23 114.44 15.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.278 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.414 ' HD3' ' O ' ' A' ' 60' ' ' ASN . 11.0 mtt85 -116.53 160.84 20.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.645 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -177.82 -178.85 47.66 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.531 1.144 . . . . 0.0 110.999 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.448 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 19.4 m -84.44 152.31 24.08 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.7 -165.63 24.69 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.535 1.147 . . . . 0.0 111.007 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 36.9 t -146.11 73.74 13.24 Favored Pre-proline 0 C--N 1.324 -0.506 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.622 ' O ' HD21 ' A' ' 51' ' ' LEU . 62.1 Cg_endo -69.78 -179.21 2.76 Favored 'Trans proline' 0 C--N 1.325 -0.682 0 C-N-CA 124.174 3.25 . . . . 0.0 110.862 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -114.96 140.74 48.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.788 HG13 HD22 ' A' ' 51' ' ' LEU . 18.9 m -113.78 163.76 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.468 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 2.0 mtmp? -85.25 169.53 15.9 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.468 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 52.0 Cg_exo -59.01 133.52 53.97 Favored 'Trans proline' 0 C--N 1.325 -0.665 0 C-N-CA 124.358 3.372 . . . . 0.0 109.846 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.14 -35.26 5.07 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.472 1.107 . . . . 0.0 111.046 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.636 HG11 ' CE ' ' A' ' 26' ' ' LYS . 3.9 t -79.61 149.11 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.592 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 55.1 m-80 -101.86 143.43 31.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.788 HD22 HG13 ' A' ' 45' ' ' VAL . 29.3 tp -145.37 139.73 27.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.529 ' H ' HD12 ' A' ' 51' ' ' LEU . 6.1 t-20 -138.91 120.52 15.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 62.9 m -110.73 145.45 38.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 108.298 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 p -153.49 163.76 39.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 108.257 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.499 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 12.1 mtm-85 -112.08 46.05 1.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.142 . . . . 0.0 110.254 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.567 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -132.95 144.28 50.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 110.426 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.423 ' OD1' HD12 ' A' ' 1' ' ' LEU . 19.9 m-20 -61.34 140.2 58.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.443 ' NE ' HG21 ' A' ' 14' ' ' THR . 22.8 mtt180 41.38 37.92 0.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.567 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 18.0 p -86.67 -22.85 25.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 108.278 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.48 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 20.5 p-10 -95.44 48.62 1.16 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.55 ' HB3' ' CD2' ' A' ' 4' ' ' HIS . 23.2 p-10 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 116.984 -1.484 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.475 HD12 ' OD1' ' A' ' 57' ' ' ASP . 15.2 tp . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -106.6 145.48 31.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.271 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.195 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 11.4 m -137.88 137.21 37.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 108.279 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.479 ' HA ' ' O ' ' A' ' 13' ' ' THR . 36.6 m-70 -63.03 137.15 58.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.625 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.44 ' C ' ' OD1' ' A' ' 5' ' ' ASN . 5.0 p30 -120.05 11.28 11.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.408 ' CD ' ' HA ' ' A' ' 12' ' ' PRO . 2.6 pt20 -71.35 142.29 50.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.46 ' O ' ' C ' ' A' ' 8' ' ' SER . 2.0 pt20 -106.7 159.21 16.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.46 ' C ' ' O ' ' A' ' 7' ' ' GLN . 3.8 m 34.97 -135.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 10' ' ' GLN . 99.7 p -90.52 -0.79 57.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.971 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.595 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 36.8 mm-40 -44.26 169.1 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.266 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.595 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.7 Cg_exo -58.91 129.54 32.5 Favored 'Trans proline' 0 C--N 1.325 -0.685 0 C-N-CA 124.363 3.375 . . . . 0.0 109.846 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.7 Cg_exo -58.85 125.99 19.86 Favored 'Trans proline' 0 C--N 1.326 -0.655 0 C-N-CA 124.309 3.339 . . . . 0.0 109.892 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.479 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.1 p -132.66 174.21 10.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.385 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.456 HG21 ' NE ' ' A' ' 58' ' ' ARG . 2.3 p -145.01 157.23 44.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.409 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.07 148.8 30.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.7 m -77.94 132.37 37.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.334 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 1.195 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -85.72 122.17 29.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 108.277 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.6 t -102.24 116.39 32.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.033 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 78.62 -12.1 23.19 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.52 1.138 . . . . 0.0 110.988 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.474 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 11.8 mt-10 -103.56 156.61 17.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 0.749 . . . . 0.0 110.321 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.429 ' C ' ' CD2' ' A' ' 1' ' ' LEU . 4.4 p -135.58 15.74 3.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.408 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.484 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 24.9 m-80 -134.65 154.48 51.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.484 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 41.1 m -116.84 137.97 51.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 108.267 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.667 ' HB2' HD11 ' A' ' 51' ' ' LEU . 14.1 p90 -116.72 152.96 33.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 111.038 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.535 ' HE2' ' CE3' ' A' ' 27' ' ' TRP . 24.5 tttt -139.1 117.42 11.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.568 ' HD3' ' CZ3' ' A' ' 28' ' ' TRP . 2.5 ttmp? -108.96 141.65 40.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.118 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.581 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 27.5 p90 -158.66 144.94 17.02 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.62 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 29.2 p90 -161.43 171.08 18.81 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.5 t -103.25 152.66 21.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.034 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -145.44 166.99 24.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -67.08 -11.16 56.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.585 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -102.48 -28.33 12.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.19 -174.96 33.31 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.2 m -83.1 115.19 21.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 0.751 . . . . 0.0 110.436 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.62 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 13.5 mt -91.3 134.33 30.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.572 HG23 ' HB3' ' A' ' 27' ' ' TRP . 6.6 mt -131.28 127.07 59.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.127 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -132.73 114.92 14.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.7 mtt85 -116.38 160.83 19.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.259 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.649 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -176.5 -177.16 45.26 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.538 1.149 . . . . 0.0 111.005 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.453 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 18.5 m -85.13 151.81 23.85 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.401 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 95.46 -166.8 25.62 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.504 1.127 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 36.3 t -145.19 73.68 14.4 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.621 ' O ' HD21 ' A' ' 51' ' ' LEU . 61.6 Cg_endo -69.84 -179.09 2.7 Favored 'Trans proline' 0 C--N 1.325 -0.677 0 C-N-CA 124.183 3.256 . . . . 0.0 110.849 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.8 pttp -114.45 141.06 48.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.768 HG13 HD22 ' A' ' 51' ' ' LEU . 16.7 m -113.61 162.56 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.47 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 22.2 mtmm -85.58 170.19 13.77 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.47 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 51.6 Cg_exo -58.9 133.4 53.44 Favored 'Trans proline' 0 C--N 1.325 -0.693 0 C-N-CA 124.332 3.355 . . . . 0.0 109.9 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.34 -35.22 5.11 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.478 1.111 . . . . 0.0 110.973 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.6 t -81.68 147.0 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 109.329 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.581 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 52.8 m-80 -100.7 144.69 29.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.355 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.768 HD22 HG13 ' A' ' 45' ' ' VAL . 36.8 tp -143.86 140.19 29.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.492 ' H ' HD12 ' A' ' 51' ' ' LEU . 6.3 t30 -138.73 119.51 14.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.45 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 63.7 m -110.63 144.68 39.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 108.296 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.2 p -152.57 164.7 37.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 108.321 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.484 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 23.7 mtp85 -111.73 46.06 1.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.554 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.2 p -134.86 143.57 47.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.384 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.475 ' OD1' HD12 ' A' ' 1' ' ' LEU . 0.9 OUTLIER -62.49 142.32 57.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.456 ' NE ' HG21 ' A' ' 14' ' ' THR . 13.1 mtt180 42.75 34.87 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.554 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 15.8 p -86.31 -22.83 26.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 108.303 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.484 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 22.5 p-10 -95.55 49.48 1.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.0 p30 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 116.983 -1.484 . . . . 0.0 109.275 -179.972 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.416 HD12 ' OD1' ' A' ' 57' ' ' ASP . 13.5 tp . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.433 ' CD ' ' N ' ' A' ' 2' ' ' GLU . 4.6 mp0 -109.93 146.2 35.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.181 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 10.0 m -137.36 137.25 38.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 108.322 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.49 ' HA ' ' O ' ' A' ' 13' ' ' THR . 36.7 m-70 -62.33 144.04 56.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.536 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.447 ' C ' ' OD1' ' A' ' 5' ' ' ASN . 4.2 p30 -127.1 9.13 6.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.407 ' CB ' ' HA ' ' A' ' 12' ' ' PRO . 2.0 pt20 -65.69 143.91 57.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 110.296 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.479 ' CG ' ' O ' ' A' ' 36' ' ' ILE . 24.8 tt0 -106.71 154.85 20.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.46 ' C ' ' O ' ' A' ' 7' ' ' GLN . 5.2 m 34.57 -133.71 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.566 1.166 . . . . 0.0 109.966 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 10' ' ' GLN . 38.8 m -89.18 -2.67 58.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.013 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.592 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 3.1 mm100 -44.15 169.23 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.592 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.8 Cg_exo -58.94 126.81 22.19 Favored 'Trans proline' 0 C--N 1.324 -0.723 0 C-N-CA 124.39 3.393 . . . . 0.0 109.841 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.6 Cg_exo -58.84 126.89 22.47 Favored 'Trans proline' 0 C--N 1.326 -0.656 0 C-N-CA 124.358 3.372 . . . . 0.0 109.842 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.49 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.1 p -132.62 175.01 9.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.375 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.429 HG21 ' NE ' ' A' ' 58' ' ' ARG . 2.1 p -144.71 156.91 44.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 110.431 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.0 ttpt -146.65 149.01 32.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.6 m -77.49 129.74 36.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.442 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 1.181 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -83.45 122.04 27.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 108.263 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.9 t -102.93 116.58 32.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.965 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.85 -10.66 24.37 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.538 1.149 . . . . 0.0 110.959 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.493 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 9.6 mt-10 -103.5 156.25 17.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 0.732 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.3 p -135.27 15.62 3.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.391 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.496 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 23.0 m-80 -135.47 155.09 51.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.338 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.476 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 52.9 m -117.67 138.05 52.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 108.293 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.723 ' HB2' HD11 ' A' ' 51' ' ' LEU . 13.7 p90 -116.71 149.69 39.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.575 ' HE3' ' CE3' ' A' ' 27' ' ' TRP . 26.0 tttp -134.08 117.42 16.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.577 ' HD2' ' CZ3' ' A' ' 28' ' ' TRP . 2.3 ttmm -108.6 142.04 39.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.607 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 22.5 p90 -160.84 144.05 13.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 108.02 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.613 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 26.5 p90 -160.62 171.01 19.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 108.018 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.2 t -103.54 152.64 21.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.992 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.403 ' OD1' ' CD1' ' A' ' 28' ' ' TRP . 0.8 OUTLIER -145.79 167.05 24.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -67.27 -10.79 54.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.56 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 54.8 mmm-85 -102.47 -28.23 12.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.31 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 154.9 -174.95 33.1 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.2 m -83.47 114.13 21.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 0.76 . . . . 0.0 110.406 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.613 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 14.8 mt -90.86 134.12 30.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.488 HG23 ' HB3' ' A' ' 27' ' ' TRP . 8.6 mt -128.88 126.9 65.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -130.78 114.53 15.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.32 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.489 ' CZ ' ' OXT' ' A' ' 61' ' ' ASN . 12.6 mtt85 -116.26 160.71 20.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.331 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.663 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -177.07 -179.26 47.36 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.468 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 19.0 m -85.02 151.52 24.11 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.409 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 95.33 -167.21 26.04 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.453 1.096 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 36.1 t -144.57 73.89 15.35 Favored Pre-proline 0 C--N 1.325 -0.467 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.552 ' O ' HD21 ' A' ' 51' ' ' LEU . 62.2 Cg_endo -69.78 179.97 3.34 Favored 'Trans proline' 0 C--N 1.325 -0.7 0 C-N-CA 124.204 3.269 . . . . 0.0 110.83 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.405 ' NZ ' ' HB2' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -112.39 140.29 47.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.834 HG13 HD22 ' A' ' 51' ' ' LEU . 12.3 m -114.48 162.05 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.472 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 19.6 mtmm -86.54 170.13 13.29 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.081 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.472 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 51.8 Cg_exo -58.91 134.53 60.8 Favored 'Trans proline' 0 C--N 1.326 -0.657 0 C-N-CA 124.326 3.351 . . . . 0.0 109.89 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.13 -35.31 5.04 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.434 1.084 . . . . 0.0 111.046 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.539 HG11 ' HD3' ' A' ' 26' ' ' LYS . 2.5 t -82.38 145.76 8.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.45 0.735 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.607 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 51.8 m-80 -100.31 142.46 31.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.834 HD22 HG13 ' A' ' 45' ' ' VAL . 43.1 tp -142.06 140.61 32.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.446 ' H ' HD12 ' A' ' 51' ' ' LEU . 2.0 t-20 -138.69 118.04 12.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 62.9 m -108.98 144.74 36.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 108.321 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 p -153.7 163.94 39.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 108.31 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.496 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 14.8 mtm-85 -111.86 45.9 1.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.566 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -132.68 144.22 50.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 0.0 110.386 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.416 ' OD1' HD12 ' A' ' 1' ' ' LEU . 20.6 m-20 -61.22 140.16 57.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.429 ' NE ' HG21 ' A' ' 14' ' ' THR . 13.8 mtt180 41.39 38.19 0.78 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.566 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 17.8 p -86.95 -22.58 25.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 108.284 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.476 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 20.6 p-10 -95.41 48.65 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.489 ' OXT' ' CZ ' ' A' ' 38' ' ' ARG . 20.2 p-10 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 117.005 -1.474 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.437 HD12 ' OD1' ' A' ' 57' ' ' ASP . 15.1 tp . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -109.03 145.31 35.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.124 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 9.3 m -136.75 136.87 39.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 108.302 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.572 ' CD2' ' HB2' ' A' ' 61' ' ' ASN . 31.4 m-70 -61.9 150.01 38.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.564 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.445 ' OD1' ' O ' ' A' ' 5' ' ' ASN . 7.7 p30 -135.31 16.91 3.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.423 ' HB3' ' HA ' ' A' ' 12' ' ' PRO . 1.2 pt20 -63.18 142.12 58.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.554 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 0.1 OUTLIER -107.75 132.98 52.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.117 . . . . 0.0 110.297 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.6 m 47.77 -135.18 1.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.6 m -88.03 8.88 24.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.022 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.65 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 8.8 mm100 -58.98 170.14 0.94 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.65 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.8 Cg_exo -58.89 127.68 25.24 Favored 'Trans proline' 0 C--N 1.325 -0.692 0 C-N-CA 124.351 3.368 . . . . 0.0 109.889 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.8 Cg_exo -58.92 125.37 18.0 Favored 'Trans proline' 0 C--N 1.325 -0.683 0 C-N-CA 124.326 3.351 . . . . 0.0 109.844 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.468 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.0 p -131.08 174.26 10.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.413 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -143.49 156.79 44.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.42 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -145.44 149.01 33.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.7 m -77.37 133.72 38.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.4 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 1.124 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.8 m -87.34 121.86 30.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 108.34 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.7 t -103.17 116.4 32.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.967 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.06 -9.63 24.42 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.455 1.097 . . . . 0.0 110.972 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.496 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 15.2 mt-10 -103.65 157.47 17.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 0.778 . . . . 0.0 110.277 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.5 p -136.55 15.51 3.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 110.38 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.498 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 23.7 m-80 -134.73 155.24 50.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.485 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 57.5 m -117.55 138.66 51.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 108.354 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.701 ' HB2' HD11 ' A' ' 51' ' ' LEU . 12.6 p90 -117.97 149.67 40.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.575 ' HE3' ' CZ3' ' A' ' 27' ' ' TRP . 15.1 ttpt -134.85 117.95 16.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.55 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 2.3 ttmp? -109.11 142.27 40.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.595 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 23.3 p90 -159.99 145.15 15.13 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.629 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 37.0 p90 -161.11 170.88 19.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 107.991 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.3 t -104.98 152.67 22.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.99 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.482 ' OD1' ' CD1' ' A' ' 28' ' ' TRP . 0.8 OUTLIER -146.17 167.0 24.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -67.33 -10.41 50.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.636 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -102.46 -28.37 12.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.3 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 154.87 -174.94 33.08 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.9 m -84.8 116.57 23.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 0.734 . . . . 0.0 110.366 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.629 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 13.5 mt -92.61 135.84 26.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.516 HG21 ' NH2' ' A' ' 38' ' ' ARG . 8.0 mt -129.84 123.83 57.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -127.82 114.56 17.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.516 ' NH2' HG21 ' A' ' 36' ' ' ILE . 37.7 mtt-85 -118.05 160.95 20.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.673 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -177.31 -179.31 47.54 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.535 1.147 . . . . 0.0 111.026 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.414 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 18.7 m -84.13 151.1 25.1 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.26 -166.39 25.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.11 . . . . 0.0 110.973 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 36.8 t -144.24 73.79 15.96 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.615 ' O ' HD21 ' A' ' 51' ' ' LEU . 61.5 Cg_endo -69.82 -179.35 2.88 Favored 'Trans proline' 0 C--N 1.326 -0.658 0 C-N-CA 124.219 3.279 . . . . 0.0 110.838 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.1 tttp -114.24 140.8 48.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.356 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.814 HG13 HD22 ' A' ' 51' ' ' LEU . 16.7 m -114.03 162.99 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.467 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 13.2 mtmt -85.82 169.92 14.34 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.467 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 51.7 Cg_exo -58.89 134.02 57.5 Favored 'Trans proline' 0 C--N 1.325 -0.707 0 C-N-CA 124.402 3.401 . . . . 0.0 109.838 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.27 -35.3 5.05 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.577 1.173 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.446 HG13 ' CE3' ' A' ' 28' ' ' TRP . 2.5 t -82.16 145.85 8.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 0.792 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.595 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 51.6 m-80 -99.66 143.92 29.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.814 HD22 HG13 ' A' ' 45' ' ' VAL . 39.2 tp -144.32 139.72 28.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.456 ' H ' HD12 ' A' ' 51' ' ' LEU . 26.8 t-20 -138.69 120.93 15.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 60.7 m -109.79 145.72 36.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 108.337 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 p -153.79 163.4 40.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 108.328 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.498 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 44.5 mtm180 -112.02 46.04 1.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.564 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -132.92 144.18 49.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.163 . . . . 0.0 110.408 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.437 ' OD1' HD12 ' A' ' 1' ' ' LEU . 19.3 m-20 -61.38 140.03 58.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.9 mtt85 41.43 38.25 0.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.332 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.564 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 18.8 p -86.59 -21.36 26.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.163 . . . . 0.0 108.268 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.485 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 24.7 p-10 -94.71 44.8 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.572 ' HB2' ' CD2' ' A' ' 4' ' ' HIS . 43.4 t30 . . . . . 0 C--O 1.25 1.127 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.248 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.434 HD12 ' OD1' ' A' ' 57' ' ' ASP . 13.3 tp . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -108.8 145.17 35.64 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.139 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 11.7 m -137.69 137.29 38.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 108.268 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.516 ' HA ' ' O ' ' A' ' 13' ' ' THR . 38.7 m-70 -62.64 135.39 57.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.642 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.428 ' C ' ' OD1' ' A' ' 5' ' ' ASN . 6.2 p30 -116.24 13.72 15.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.468 ' O ' ' NH1' ' A' ' 38' ' ' ARG . 3.2 pt20 -74.92 131.96 41.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.446 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -108.5 154.38 22.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.316 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.7 m 54.54 -133.26 1.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.02 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.407 ' O ' ' O ' ' A' ' 10' ' ' GLN . 3.5 m -102.76 -2.07 28.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.003 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.627 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 10.2 mm100 -44.61 169.6 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.627 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.7 Cg_exo -58.88 135.52 67.39 Favored 'Trans proline' 0 C--N 1.325 -0.683 0 C-N-CA 124.364 3.376 . . . . 0.0 109.855 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.499 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.8 Cg_exo -58.91 127.15 23.29 Favored 'Trans proline' 0 C--N 1.325 -0.703 0 C-N-CA 124.342 3.362 . . . . 0.0 109.87 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.516 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.0 p -132.59 173.42 11.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.41 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 p -145.39 158.23 43.87 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.547 1.154 . . . . 0.0 110.462 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.0 tptt -149.54 148.5 29.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.4 m -77.98 128.76 34.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.399 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 1.139 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -81.97 122.09 27.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 108.283 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 34.1 p -102.78 116.52 32.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 109.932 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.32 -10.31 22.6 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.508 1.13 . . . . 0.0 111.058 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.493 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 15.3 mt-10 -103.7 159.18 15.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 0.743 . . . . 0.0 110.278 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.0 p -138.33 15.68 2.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.381 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.501 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 23.0 m-80 -134.81 155.68 50.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.473 ' O ' ' HA ' ' A' ' 53' ' ' CYS . 43.4 m -117.39 136.55 53.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 108.292 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.652 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 13.9 p90 -116.07 153.48 31.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.428 1.08 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.491 ' HG3' ' CD ' ' A' ' 38' ' ' ARG . 0.1 OUTLIER -140.88 117.5 10.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.596 ' HG2' HD13 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -109.35 143.53 38.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.24 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.586 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 25.0 p90 -160.28 144.58 14.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 108.024 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.62 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 30.0 p90 -159.62 170.58 21.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 108.021 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 61.1 m -105.14 151.74 23.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.965 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -145.61 166.5 25.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 21.1 t-160 -67.57 -9.88 46.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.585 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -102.58 -28.33 12.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 154.85 -174.9 33.07 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.8 m -86.13 116.03 24.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 0.763 . . . . 0.0 110.375 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.62 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 17.1 mt -93.08 134.86 29.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.543 HG23 ' HB3' ' A' ' 27' ' ' TRP . 6.1 mt -129.92 127.84 64.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -131.3 113.31 13.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.326 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.491 ' CD ' ' HG3' ' A' ' 25' ' ' LYS . 20.2 mtt85 -118.02 160.32 21.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.652 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -178.12 -175.92 45.66 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.476 1.11 . . . . 0.0 111.025 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.417 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 19.8 m -85.25 151.91 23.71 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.405 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 95.64 -166.68 25.32 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 38.1 t -146.12 74.47 13.08 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.602 ' O ' HD21 ' A' ' 51' ' ' LEU . 61.4 Cg_endo -69.88 -179.48 3.0 Favored 'Trans proline' 0 C--N 1.326 -0.655 0 C-N-CA 124.181 3.254 . . . . 0.0 110.809 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.8 mtpp -113.77 140.39 48.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.852 HG13 HD22 ' A' ' 51' ' ' LEU . 13.8 m -113.92 162.17 12.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.473 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 13.5 mtpt -85.95 170.05 13.92 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.473 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 52.0 Cg_exo -58.91 133.95 56.99 Favored 'Trans proline' 0 C--N 1.325 -0.664 0 C-N-CA 124.34 3.36 . . . . 0.0 109.861 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.17 -35.37 4.99 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.547 1.154 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.6 t -81.54 147.05 6.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.481 0.754 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.586 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 53.0 m-80 -100.74 143.75 30.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.852 HD22 HG13 ' A' ' 45' ' ' VAL . 24.1 tp -144.27 140.23 29.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.582 ' H ' HD12 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -138.96 121.16 15.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.473 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 62.8 m -111.7 145.08 39.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 108.264 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.5 p -151.98 162.98 40.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 108.289 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.501 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 52.6 mtm180 -112.41 46.25 1.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.272 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.557 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -133.37 144.44 49.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.37 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.434 ' OD1' HD12 ' A' ' 1' ' ' LEU . 19.5 m-20 -61.24 140.01 58.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.33 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.434 ' O ' ' ND2' ' A' ' 61' ' ' ASN . 19.8 mtt85 41.02 38.57 0.71 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.321 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.557 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 20.2 p -86.11 -23.43 26.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 108.301 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.473 ' O ' ' CD ' ' A' ' 38' ' ' ARG . 25.7 p-10 -95.45 48.55 1.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.457 ' O ' ' CZ ' ' A' ' 38' ' ' ARG . 15.4 m-80 . . . . . 0 C--O 1.25 1.094 0 CA-C-O 116.966 -1.493 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.416 HD12 ' OD1' ' A' ' 57' ' ' ASP . 12.7 tp . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -112.54 145.77 39.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.036 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 16.3 m -137.24 137.32 38.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 108.297 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.519 ' HA ' ' O ' ' A' ' 13' ' ' THR . 32.7 m-70 -60.45 141.9 55.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.575 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.438 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 4.0 p-10 -124.98 15.12 8.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -73.8 144.46 45.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.506 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 30.6 tt0 -106.66 149.4 27.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 7' ' ' GLN . 3.2 m 38.53 -136.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.991 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 61.3 m -86.47 9.44 18.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.975 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.615 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 28.0 mm-40 -53.82 169.53 0.34 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 110.323 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.615 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.6 Cg_exo -58.91 127.08 23.04 Favored 'Trans proline' 0 C--N 1.325 -0.698 0 C-N-CA 124.298 3.332 . . . . 0.0 109.926 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.507 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.9 Cg_exo -58.88 120.57 8.52 Favored 'Trans proline' 0 C--N 1.325 -0.685 0 C-N-CA 124.325 3.35 . . . . 0.0 109.877 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.519 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.1 p -131.53 174.81 9.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.4 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.451 HG21 ' NE ' ' A' ' 58' ' ' ARG . 2.1 p -145.24 157.94 43.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.383 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 56.0 tttt -147.27 149.18 32.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.8 m -77.34 129.8 36.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.419 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 1.036 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -82.36 122.22 27.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 108.334 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.0 p -102.54 116.2 32.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 109.969 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.89 -10.7 24.48 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.499 1.125 . . . . 0.0 111.043 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.495 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 6.7 mt-10 -103.58 160.52 14.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 0.759 . . . . 0.0 110.281 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.7 p -139.72 15.65 2.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.368 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.502 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 23.1 m-80 -135.11 155.9 49.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.492 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 33.7 m -117.17 136.81 52.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 108.304 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.59 ' HB2' HD11 ' A' ' 51' ' ' LEU . 12.4 p90 -117.25 152.25 35.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 111.028 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.426 ' NZ ' ' HB3' ' A' ' 25' ' ' LYS . 3.8 ttpm? -143.97 115.9 8.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.587 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -110.15 143.22 40.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.625 ' HB3' HG23 ' A' ' 36' ' ' ILE . 35.0 p90 -154.32 147.4 24.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 108.006 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.61 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 28.4 p90 -159.32 169.68 23.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 108.022 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.7 p -105.42 137.99 42.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.002 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.534 ' OD1' ' CD1' ' A' ' 28' ' ' TRP . 0.9 OUTLIER -129.34 165.5 21.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 -66.25 -10.64 44.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.585 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 62.4 mtm180 -102.38 -28.32 12.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.143 . . . . 0.0 110.279 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 154.64 176.2 26.64 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.539 1.149 . . . . 0.0 110.946 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.1 m -75.7 116.48 16.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 0.768 . . . . 0.0 110.444 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.61 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 17.8 mt -93.81 136.91 24.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.625 HG23 ' HB3' ' A' ' 27' ' ' TRP . 5.4 mt -134.95 129.2 50.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.482 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 7.8 tt0 -130.22 116.31 18.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.479 ' CZ ' ' O ' ' A' ' 61' ' ' ASN . 29.2 mtt-85 -113.4 152.68 29.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.579 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -172.77 -179.35 43.47 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.518 1.136 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.401 ' C ' ' OE1' ' A' ' 20' ' ' GLU . 22.3 m -86.22 153.31 22.11 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.41 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 96.17 -165.62 24.12 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.571 1.169 . . . . 0.0 111.02 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 38.0 t -148.0 73.88 11.13 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.57 ' HD2' ' CB ' ' A' ' 24' ' ' TYR . 61.6 Cg_endo -69.82 -178.93 2.6 Favored 'Trans proline' 0 C--N 1.325 -0.69 0 C-N-CA 124.16 3.24 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.0 tmtt? -114.89 140.86 48.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.25 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.785 HG13 HD22 ' A' ' 51' ' ' LEU . 18.0 m -113.76 163.47 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.466 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 24.4 mttt -85.35 169.31 16.45 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.252 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.466 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 51.7 Cg_exo -58.89 133.79 55.98 Favored 'Trans proline' 0 C--N 1.325 -0.671 0 C-N-CA 124.355 3.37 . . . . 0.0 109.885 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.12 -35.24 5.08 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.506 1.129 . . . . 0.0 110.997 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.8 t -81.6 146.05 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.537 0.786 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.587 ' O ' ' HA ' ' A' ' 26' ' ' LYS . 60.1 m-80 -98.61 147.25 25.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.785 HD22 HG13 ' A' ' 45' ' ' VAL . 34.5 tp -147.83 140.82 24.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.24 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.518 ' H ' HD12 ' A' ' 51' ' ' LEU . 6.1 t-20 -138.99 122.81 17.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.48 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 68.7 m -113.39 142.64 45.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 108.275 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.5 p -150.71 163.14 39.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 108.275 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.502 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 38.5 mtm180 -111.95 45.66 1.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.565 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -132.03 144.17 50.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.132 . . . . 0.0 110.397 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.416 ' OD1' HD12 ' A' ' 1' ' ' LEU . 19.7 m-20 -61.39 140.12 58.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.451 ' NE ' HG21 ' A' ' 14' ' ' THR . 15.5 mtt180 41.62 38.0 0.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.565 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 17.7 p -86.91 -22.98 25.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 108.296 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.492 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 24.7 p-10 -95.29 47.78 1.14 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.479 ' O ' ' CZ ' ' A' ' 38' ' ' ARG . 1.8 m120 . . . . . 0 C--O 1.25 1.084 0 CA-C-O 116.979 -1.486 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.432 HD12 ' OD1' ' A' ' 57' ' ' ASP . 13.0 tp . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -108.18 145.65 33.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.121 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 12.6 m -137.27 137.33 38.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 108.306 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.618 ' CD2' ' CB ' ' A' ' 61' ' ' ASN . 31.2 m-70 -63.23 134.9 56.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.564 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.584 ' ND2' ' C ' ' A' ' 5' ' ' ASN . 0.1 OUTLIER -116.91 11.57 14.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.504 ' OE1' ' CZ ' ' A' ' 38' ' ' ARG . 0.2 OUTLIER -64.62 141.63 58.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.262 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.436 ' O ' ' HG2' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -106.62 156.88 18.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.248 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 7' ' ' GLN . 14.6 m 36.62 -128.67 0.14 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.004 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.9 p -97.22 1.22 49.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.99 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.597 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 10.4 mm100 -44.42 168.26 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.256 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.597 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.8 Cg_exo -58.9 143.38 99.48 Favored 'Trans proline' 0 C--N 1.326 -0.63 0 C-N-CA 124.328 3.352 . . . . 0.0 109.865 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.7 Cg_exo -58.87 124.15 15.08 Favored 'Trans proline' 0 C--N 1.326 -0.648 0 C-N-CA 124.359 3.373 . . . . 0.0 109.881 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.533 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 1.9 p -131.1 169.33 16.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 110.404 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -146.17 158.31 43.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.368 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.43 ' HE3' ' CB ' ' A' ' 5' ' ' ASN . 8.8 ptpt -149.94 148.25 28.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.2 m -78.01 133.33 38.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 110.436 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 1.121 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.8 m -88.14 121.84 31.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 108.306 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.2 p -102.9 116.56 32.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.005 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.65 -10.13 25.85 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.502 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 7.0 mt-10 -103.52 160.16 14.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 0.762 . . . . 0.0 110.255 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.1 p -139.39 15.88 2.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.437 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.503 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 22.5 m-80 -134.72 154.94 51.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.346 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.487 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 53.0 m -117.03 137.17 52.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 108.323 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.662 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 12.2 p90 -117.2 153.31 33.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.472 ' HG2' ' CE3' ' A' ' 27' ' ' TRP . 13.3 ttpp -139.72 117.49 11.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.579 ' HG2' HD13 ' A' ' 51' ' ' LEU . 10.3 mtmt -109.41 140.9 42.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.581 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 28.1 p90 -158.61 144.45 16.76 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.578 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 36.5 p90 -161.39 170.97 19.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 108.017 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.1 p -103.18 153.29 20.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.975 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -146.64 166.78 25.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 42.2 m170 -67.22 -11.3 57.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.573 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.5 mmt-85 -102.58 -28.21 12.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.276 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.85 -174.88 33.79 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.5 m -84.9 112.87 20.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 0.787 . . . . 0.0 110.389 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.578 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 12.0 mt -88.48 131.49 35.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.58 HG23 ' HB3' ' A' ' 27' ' ' TRP . 8.6 mt -128.62 121.35 54.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -128.0 114.95 17.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.271 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.504 ' CZ ' ' OE1' ' A' ' 6' ' ' GLN . 11.8 mtt180 -121.79 160.65 24.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.313 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.662 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -175.89 -173.93 42.0 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.2 m -84.0 151.45 25.0 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.401 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 95.78 -166.04 24.81 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.528 1.142 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 37.3 t -145.95 74.03 13.38 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.642 ' O ' HD21 ' A' ' 51' ' ' LEU . 61.5 Cg_endo -69.8 -179.52 2.99 Favored 'Trans proline' 0 C--N 1.325 -0.706 0 C-N-CA 124.225 3.283 . . . . 0.0 110.812 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -115.06 140.41 49.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.343 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.806 HG13 HD22 ' A' ' 51' ' ' LEU . 18.1 m -113.82 163.39 11.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.103 . . . . 0.0 109.335 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.474 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 3.5 mtmt -85.49 169.99 14.39 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.474 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 51.7 Cg_exo -58.85 133.77 55.96 Favored 'Trans proline' 0 C--N 1.325 -0.662 0 C-N-CA 124.346 3.364 . . . . 0.0 109.898 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.29 -35.13 5.17 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.535 1.147 . . . . 0.0 111.038 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.493 HG13 ' CE3' ' A' ' 28' ' ' TRP . 2.6 t -81.36 145.98 8.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.523 0.778 . . . . 0.0 109.336 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.581 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 52.5 m-80 -98.79 143.83 28.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.806 HD22 HG13 ' A' ' 45' ' ' VAL . 21.1 tp -144.43 138.96 28.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.565 ' H ' HD12 ' A' ' 51' ' ' LEU . 15.9 t-20 -138.39 120.78 15.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.48 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 65.0 m -111.56 145.48 39.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 108.305 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 p -152.86 163.19 40.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 108.345 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.503 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 14.1 mtm-85 -112.18 46.1 1.2 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.427 1.079 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.554 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -133.45 144.26 49.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.401 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.432 ' OD1' HD12 ' A' ' 1' ' ' LEU . 19.9 m-20 -61.47 140.21 58.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 29.2 mtt85 41.25 38.59 0.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.554 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 19.9 p -86.38 -23.93 25.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 108.32 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.487 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 25.6 p-10 -94.31 42.97 1.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.618 ' CB ' ' CD2' ' A' ' 4' ' ' HIS . 1.6 p-10 . . . . . 0 C--O 1.251 1.132 0 CA-C-O 116.997 -1.478 . . . . 0.0 109.355 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.429 HD12 ' OD1' ' A' ' 57' ' ' ASP . 12.6 tp . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -108.12 145.03 34.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.087 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 16.0 m -137.16 136.94 38.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 108.299 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.631 ' CD2' ' CB ' ' A' ' 61' ' ' ASN . 30.7 m-70 -62.47 143.49 57.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.617 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.448 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 3.7 p-10 -126.4 16.27 7.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.461 ' OE1' ' NH1' ' A' ' 38' ' ' ARG . 2.6 pt20 -64.5 134.44 54.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.303 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.518 ' HB2' ' NE2' ' A' ' 10' ' ' GLN . 25.5 mm-40 -106.56 142.36 36.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.323 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.3 m 47.35 -135.48 0.97 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 110.035 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 m -94.86 20.41 8.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.998 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.639 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 10.7 mt-30 -68.15 169.74 9.33 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 110.324 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.639 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.9 Cg_exo -58.82 131.42 41.9 Favored 'Trans proline' 0 C--N 1.325 -0.702 0 C-N-CA 124.401 3.401 . . . . 0.0 109.872 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.7 Cg_exo -58.89 123.61 13.89 Favored 'Trans proline' 0 C--N 1.325 -0.696 0 C-N-CA 124.356 3.37 . . . . 0.0 109.876 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.477 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.1 p -131.82 174.53 10.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 110.396 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -143.09 157.69 44.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.401 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -147.67 149.41 32.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.6 m -77.08 136.44 38.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.163 . . . . 0.0 110.397 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 1.087 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 4.0 m -91.14 121.99 33.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 108.298 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.7 t -102.95 116.27 32.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.992 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 78.4 -11.03 26.31 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.139 . . . . 0.0 110.978 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.493 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 8.6 mt-10 -103.42 159.38 15.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 0.767 . . . . 0.0 110.263 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.1 p -139.15 15.97 2.62 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.502 1.126 . . . . 0.0 110.383 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.503 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 21.5 m-80 -134.76 154.87 51.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.486 ' O ' ' HA ' ' A' ' 53' ' ' CYS . 38.7 m -117.02 136.44 52.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 108.306 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.69 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 13.4 p90 -115.53 152.1 33.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.574 1.171 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.544 ' HG2' ' CE3' ' A' ' 27' ' ' TRP . 25.9 ttpt -136.66 116.57 13.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.65 ' HG3' HG11 ' A' ' 45' ' ' VAL . 2.1 ttmm -109.66 140.57 43.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.605 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 25.5 p90 -160.45 143.15 13.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 107.985 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.593 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 37.5 p90 -158.74 170.78 21.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 108.012 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.0 t -105.09 154.18 20.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.994 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -147.96 166.44 27.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -67.38 -10.78 54.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.594 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? -102.51 -28.16 12.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 156.14 -174.85 34.0 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.1 m -88.14 114.16 24.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 0.787 . . . . 0.0 110.41 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.593 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 17.5 mt -89.57 134.14 29.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.504 HG23 ' HB3' ' A' ' 27' ' ' TRP . 7.7 mt -128.09 121.32 55.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.403 ' O ' ' HB3' ' A' ' 26' ' ' LYS . 20.9 tt0 -129.09 113.58 15.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.267 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.528 ' NE ' ' CD ' ' A' ' 25' ' ' LYS . 61.3 mtt180 -126.84 160.36 31.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.69 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -174.76 -169.3 36.56 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.464 1.103 . . . . 0.0 110.966 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 22.7 m -84.4 150.8 25.09 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.74 -167.37 25.62 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.522 1.139 . . . . 0.0 111.049 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 37.2 t -145.81 75.19 13.27 Favored Pre-proline 0 C--N 1.325 -0.5 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.589 ' O ' HD21 ' A' ' 51' ' ' LEU . 61.5 Cg_endo -69.86 179.76 3.53 Favored 'Trans proline' 0 C--N 1.326 -0.651 0 C-N-CA 124.182 3.255 . . . . 0.0 110.808 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -114.85 139.06 50.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.703 HG13 HD22 ' A' ' 51' ' ' LEU . 18.5 m -114.72 164.0 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.486 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 20.3 mtmt -86.45 170.68 11.88 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.486 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 51.9 Cg_exo -58.94 134.61 61.2 Favored 'Trans proline' 0 C--N 1.324 -0.72 0 C-N-CA 124.379 3.386 . . . . 0.0 109.855 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.48 -35.35 5.03 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.5 t -80.81 144.82 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 0.764 . . . . 0.0 109.287 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.605 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 52.5 m-80 -98.63 139.18 34.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.703 HD22 HG13 ' A' ' 45' ' ' VAL . 22.2 tp -139.76 139.88 36.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.58 ' H ' HD12 ' A' ' 51' ' ' LEU . 5.0 t30 -138.72 117.61 12.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.486 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 70.0 m -110.32 145.06 38.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 108.305 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 p -153.04 163.36 39.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 108.27 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.503 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 40.6 mtt180 -112.35 46.18 1.2 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 110.331 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.552 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -133.7 144.27 49.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.415 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.429 ' OD1' HD12 ' A' ' 1' ' ' LEU . 19.9 m-20 -61.37 140.05 58.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.272 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 41.18 38.91 0.82 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.552 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 20.4 p -86.48 -24.53 25.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 108.255 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.482 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 25.2 p-10 -94.37 43.23 1.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.128 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.631 ' CB ' ' CD2' ' A' ' 4' ' ' HIS . 2.3 p30 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 117.021 -1.466 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.421 HD12 ' OD1' ' A' ' 57' ' ' ASP . 12.5 tp . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -110.45 145.3 37.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.306 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.096 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 13.4 m -137.51 137.35 38.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 108.27 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.514 ' HA ' ' O ' ' A' ' 13' ' ' THR . 35.6 m-70 -61.82 136.56 58.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.621 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.435 ' C ' ' OD1' ' A' ' 5' ' ' ASN . 5.4 p30 -118.11 11.71 13.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 0.0 109.244 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.415 ' HG3' ' HD2' ' A' ' 38' ' ' ARG . 2.9 pt20 -72.49 142.6 48.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.578 1.174 . . . . 0.0 110.315 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.465 ' O ' ' C ' ' A' ' 8' ' ' SER . 2.4 pt20 -106.72 160.12 15.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.465 ' C ' ' O ' ' A' ' 7' ' ' GLN . 3.7 m 34.58 -135.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.989 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 10' ' ' GLN . 3.2 m -90.48 0.03 57.48 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.494 1.121 . . . . 0.0 109.991 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.6 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 38.6 mm-40 -44.26 169.2 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.6 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.6 Cg_exo -58.93 130.72 37.96 Favored 'Trans proline' 0 C--N 1.325 -0.68 0 C-N-CA 124.314 3.343 . . . . 0.0 109.89 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.484 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.9 Cg_exo -58.87 124.8 16.51 Favored 'Trans proline' 0 C--N 1.325 -0.677 0 C-N-CA 124.337 3.358 . . . . 0.0 109.867 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.514 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.0 p -132.79 174.09 10.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.414 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 p -145.31 158.37 43.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.4 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -149.3 148.64 29.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.4 m -77.9 129.16 35.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.391 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 1.096 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 4.0 m -81.03 122.04 26.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 108.287 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.51 116.12 31.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.974 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.43 -10.58 21.91 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.492 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 15.3 mt-10 -103.57 162.07 13.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 0.786 . . . . 0.0 110.328 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.8 p -140.95 15.58 2.28 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.488 1.117 . . . . 0.0 110.379 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.507 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 21.8 m-80 -135.06 156.25 49.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.487 ' O ' ' HA ' ' A' ' 53' ' ' CYS . 36.4 m -117.01 136.61 52.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.163 . . . . 0.0 108.337 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.59 ' HB2' HD11 ' A' ' 51' ' ' LEU . 12.6 p90 -117.13 151.53 36.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.975 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.407 ' HB3' ' NZ ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -142.37 114.99 8.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.603 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 2.2 pttm -110.31 141.56 43.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.679 ' HB3' HG23 ' A' ' 36' ' ' ILE . 36.4 p90 -153.41 147.33 25.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 108.044 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.61 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 26.9 p90 -159.12 169.49 24.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 107.963 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.8 t -105.41 137.51 43.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -128.6 165.84 20.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 109.342 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 27.6 p-80 -66.53 -10.49 45.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.609 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.2 ttm180 -102.34 -28.36 12.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.558 1.161 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 154.67 176.17 26.63 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.7 m -75.06 116.45 15.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 0.742 . . . . 0.0 110.389 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.61 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 17.0 mt -94.72 134.26 32.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.679 HG23 ' HB3' ' A' ' 27' ' ' TRP . 5.8 mt -133.21 128.98 56.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.469 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 79.5 mm-40 -130.08 115.68 17.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.415 ' HD2' ' HG3' ' A' ' 6' ' ' GLN . 23.6 mtt85 -113.3 152.18 30.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.575 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -172.27 -179.19 42.98 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.524 1.14 . . . . 0.0 111.008 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.44 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 21.6 m -85.34 153.39 22.58 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.41 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 96.25 -166.13 24.27 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.483 1.115 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.401 ' HA ' ' HB3' ' A' ' 24' ' ' TYR . 39.0 t -147.96 74.07 11.14 Favored Pre-proline 0 C--N 1.326 -0.451 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.568 ' HD2' ' CB ' ' A' ' 24' ' ' TYR . 61.6 Cg_endo -69.83 -179.19 2.77 Favored 'Trans proline' 0 C--N 1.325 -0.672 0 C-N-CA 124.199 3.266 . . . . 0.0 110.851 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.3 mptt -114.59 140.45 48.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.787 HG13 HD22 ' A' ' 51' ' ' LEU . 17.7 m -113.75 163.45 10.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.471 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 8.6 mtpp -85.47 169.47 15.9 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.471 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 51.7 Cg_exo -58.89 133.72 55.56 Favored 'Trans proline' 0 C--N 1.325 -0.707 0 C-N-CA 124.377 3.384 . . . . 0.0 109.932 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.19 -35.26 5.07 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.8 t -81.19 145.6 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.46 0.741 . . . . 0.0 109.283 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.603 ' O ' ' HA ' ' A' ' 26' ' ' LYS . 61.1 m-80 -98.14 146.44 25.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.787 HD22 HG13 ' A' ' 45' ' ' VAL . 31.2 tp -147.21 140.31 25.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.532 ' H ' HD12 ' A' ' 51' ' ' LEU . 10.7 t30 -138.68 121.75 16.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.347 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.487 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 75.9 m -113.06 143.16 44.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 108.299 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.5 p -150.85 163.26 39.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 108.328 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.507 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 15.5 mtm-85 -112.27 45.92 1.23 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.56 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -133.0 144.34 50.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 110.402 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.421 ' OD1' HD12 ' A' ' 1' ' ' LEU . 19.8 m-20 -61.36 140.26 58.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.567 1.167 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.7 mtt85 41.31 38.11 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.56 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 19.1 p -86.4 -23.42 26.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 108.331 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.484 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 25.5 p-10 -95.26 47.96 1.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.5 p30 . . . . . 0 C--O 1.25 1.092 0 CA-C-O 117.01 -1.471 . . . . 0.0 109.326 179.981 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.436 HD12 ' OD1' ' A' ' 57' ' ' ASP . 14.9 tp . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.522 ' OE2' HG23 ' A' ' 16' ' ' THR . 46.9 mm-40 -108.39 144.61 35.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.334 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.091 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 13.9 m -137.18 137.06 38.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 108.283 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.504 ' CG ' ' HA ' ' A' ' 61' ' ' ASN . 31.7 m-70 -63.04 145.18 56.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.616 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.452 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 4.0 p-10 -127.46 16.6 7.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.133 . . . . 0.0 109.362 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.555 ' NE2' ' O ' ' A' ' 61' ' ' ASN . 7.0 pt20 -64.2 135.42 56.27 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.506 1.129 . . . . 0.0 110.316 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.554 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 33.8 tt0 -106.56 141.73 37.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.26 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.7 m 45.92 -134.94 0.82 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 110.003 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.6 p -93.94 20.64 7.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 109.978 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.625 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 6.0 mm100 -68.61 169.72 10.06 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 110.262 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.625 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.5 Cg_exo -58.91 130.79 38.34 Favored 'Trans proline' 0 C--N 1.325 -0.694 0 C-N-CA 124.332 3.355 . . . . 0.0 109.878 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.9 Cg_exo -58.85 123.23 13.07 Favored 'Trans proline' 0 C--N 1.325 -0.705 0 C-N-CA 124.386 3.391 . . . . 0.0 109.848 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.478 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.1 p -131.66 174.38 10.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.084 . . . . 0.0 110.415 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -143.62 157.19 44.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.38 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -146.95 149.43 33.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.522 HG23 ' OE2' ' A' ' 2' ' ' GLU . 3.6 m -76.98 134.06 38.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.362 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 1.091 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -88.15 122.11 31.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 108.265 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.1 m -103.02 116.45 32.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.991 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.56 -10.33 24.12 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.501 1.126 . . . . 0.0 110.972 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.493 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 9.2 mt-10 -103.55 158.8 16.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 0.764 . . . . 0.0 110.266 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.417 ' C ' ' CD2' ' A' ' 1' ' ' LEU . 7.3 p -138.64 15.96 2.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.395 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.5 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 22.7 m-80 -134.99 155.15 51.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.476 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 38.7 m -117.23 136.72 52.87 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 108.316 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.669 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 13.5 p90 -116.14 152.88 32.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.112 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.541 ' CE ' ' NH1' ' A' ' 38' ' ' ARG . 29.3 tttm -138.9 116.73 11.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.569 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 11.7 ttmt -109.48 142.24 40.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.588 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 24.0 p90 -159.98 144.96 15.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 108.015 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.618 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 39.3 p90 -160.93 170.98 19.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 107.992 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 t -105.05 153.01 22.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.991 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.445 ' OD1' ' CD1' ' A' ' 28' ' ' TRP . 1.4 m-20 -146.94 166.65 26.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -67.4 -10.55 52.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.584 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -102.44 -28.22 12.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.274 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.39 -174.94 33.46 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.1 m -86.33 114.63 23.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 0.782 . . . . 0.0 110.372 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.618 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 13.6 mt -90.19 134.76 28.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.549 HG21 ' NH2' ' A' ' 38' ' ' ARG . 7.8 mt -129.45 121.21 52.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -126.48 113.79 17.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.266 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.549 ' NH2' HG21 ' A' ' 36' ' ' ILE . 8.4 mtt180 -124.07 160.36 27.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 110.309 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.669 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -177.35 -172.95 42.42 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.121 . . . . 0.0 111.023 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 21.8 m -83.83 151.2 25.28 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.402 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 95.44 -167.43 26.06 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.484 1.115 . . . . 0.0 110.979 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 38.3 t -145.06 74.44 14.38 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.617 ' O ' HD21 ' A' ' 51' ' ' LEU . 61.9 Cg_endo -69.82 -179.59 3.04 Favored 'Trans proline' 0 C--N 1.325 -0.697 0 C-N-CA 124.243 3.295 . . . . 0.0 110.804 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -114.69 140.26 49.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.821 HG13 HD22 ' A' ' 51' ' ' LEU . 16.8 m -114.09 163.32 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.474 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 7.1 mtmm -85.76 170.06 14.03 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.474 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 51.6 Cg_exo -58.85 134.12 58.24 Favored 'Trans proline' 0 C--N 1.326 -0.64 0 C-N-CA 124.329 3.353 . . . . 0.0 109.865 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.13 -35.33 5.02 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.491 HG13 ' CE3' ' A' ' 28' ' ' TRP . 2.6 t -81.26 145.77 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.76 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.588 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 52.5 m-80 -98.93 143.16 29.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.821 HD22 HG13 ' A' ' 45' ' ' VAL . 28.6 tp -144.12 139.49 28.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.532 ' H ' HD12 ' A' ' 51' ' ' LEU . 11.8 t-20 -139.11 121.26 15.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.473 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 62.6 m -111.02 146.18 37.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 108.307 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.6 p -152.75 162.32 41.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 108.307 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.5 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 22.7 mtp85 -112.36 46.27 1.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 110.303 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.549 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -133.22 144.35 49.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.386 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.436 ' OD1' HD12 ' A' ' 1' ' ' LEU . 17.5 m-20 -61.34 139.21 58.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.453 ' O ' ' ND2' ' A' ' 61' ' ' ASN . 16.5 mtt85 41.48 39.82 1.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.33 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.549 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 21.7 p -87.01 -24.43 24.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 108.262 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.476 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 24.5 p-10 -95.1 46.54 1.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.338 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.555 ' O ' ' NE2' ' A' ' 6' ' ' GLN . 1.6 m120 . . . . . 0 C--O 1.25 1.092 0 CA-C-O 117.022 -1.466 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.441 HD12 ' OD1' ' A' ' 57' ' ' ASP . 13.0 tp . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -108.04 144.28 35.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.078 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 18.3 m -137.03 136.77 38.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 108.312 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.639 ' CD2' ' CB ' ' A' ' 61' ' ' ASN . 27.2 m-70 -61.18 150.4 34.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.59 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.427 ' OD1' ' O ' ' A' ' 5' ' ' ASN . 7.8 p30 -134.07 16.3 3.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.428 ' HB3' ' HA ' ' A' ' 12' ' ' PRO . 4.4 pt20 -64.27 135.93 56.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.153 . . . . 0.0 110.307 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.55 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 7.1 mp0 -106.36 141.31 37.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.9 m 44.79 -135.76 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.024 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.5 p -92.42 20.46 6.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.996 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.618 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 22.6 mm-40 -69.74 169.89 11.31 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.344 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.618 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 52.0 Cg_exo -58.96 128.58 28.41 Favored 'Trans proline' 0 C--N 1.325 -0.7 0 C-N-CA 124.359 3.373 . . . . 0.0 109.86 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.8 Cg_exo -58.9 124.03 14.81 Favored 'Trans proline' 0 C--N 1.325 -0.687 0 C-N-CA 124.358 3.372 . . . . 0.0 109.858 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.472 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.1 p -131.49 174.32 10.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.372 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -142.4 157.03 45.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.398 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -146.21 149.33 33.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.7 m -77.22 132.92 38.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.383 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 1.078 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -85.83 121.93 29.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 108.336 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.3 m -102.73 116.21 32.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 109.999 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 76.82 -10.12 20.37 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.472 1.108 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.478 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 13.1 mt-10 -103.76 159.45 15.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 0.757 . . . . 0.0 110.313 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.406 ' C ' ' CD2' ' A' ' 1' ' ' LEU . 7.3 p -138.9 16.14 2.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.371 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.505 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 21.7 m-80 -134.33 155.3 50.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.491 ' O ' ' HA ' ' A' ' 53' ' ' CYS . 36.6 m -116.86 136.53 52.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 108.305 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.659 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 13.3 p90 -116.4 153.3 32.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.975 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.48 ' CD ' ' HD3' ' A' ' 38' ' ' ARG . 6.5 ttpm? -140.41 115.81 10.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.581 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 15.0 ttpt -109.87 142.13 41.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.605 ' HB3' HG23 ' A' ' 36' ' ' ILE . 28.5 p90 -159.2 144.22 15.78 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.568 ' CE2' ' HB ' ' A' ' 35' ' ' ILE . 27.9 p90 -159.5 171.12 20.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 107.975 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 87.6 p -103.93 153.96 20.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.983 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -147.06 167.07 24.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.263 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -67.63 -10.7 54.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 109.578 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 31.4 tpt180 -102.56 -28.28 12.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.6 -174.94 33.61 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.483 1.115 . . . . 0.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.8 m -85.24 113.75 21.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 0.785 . . . . 0.0 110.41 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.568 ' HB ' ' CE2' ' A' ' 28' ' ' TRP . 10.1 mt -90.07 133.17 32.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.605 HG23 ' HB3' ' A' ' 27' ' ' TRP . 6.5 mt -129.01 123.86 59.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.427 ' CA ' ' OE1' ' A' ' 37' ' ' GLU . 3.4 tp10 -129.85 113.94 15.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.483 ' NH1' ' C ' ' A' ' 61' ' ' ASN . 11.6 mtm180 -123.22 160.34 26.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.27 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.659 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -176.61 -171.44 40.29 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.534 1.146 . . . . 0.0 110.953 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 21.2 m -84.66 151.6 24.35 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 96.18 -166.81 24.69 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 37.8 t -146.67 74.89 12.33 Favored Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.586 ' O ' HD21 ' A' ' 51' ' ' LEU . 61.5 Cg_endo -69.8 -179.56 3.02 Favored 'Trans proline' 0 C--N 1.326 -0.639 0 C-N-CA 124.193 3.262 . . . . 0.0 110.829 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -114.5 139.85 49.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.86 HG13 HD22 ' A' ' 51' ' ' LEU . 14.5 m -113.88 162.87 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.471 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 25.2 mtmt -85.75 169.59 15.33 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.471 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 51.8 Cg_exo -58.84 134.05 57.81 Favored 'Trans proline' 0 C--N 1.325 -0.658 0 C-N-CA 124.359 3.372 . . . . 0.0 109.882 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.07 -35.29 5.05 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.129 . . . . 0.0 110.975 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.478 HG12 ' HG3' ' A' ' 26' ' ' LYS . 3.0 t -80.05 148.77 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 0.749 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.583 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 55.1 m-80 -101.15 142.65 32.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.86 HD22 HG13 ' A' ' 45' ' ' VAL . 27.4 tp -144.74 139.5 27.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.537 ' H ' HD12 ' A' ' 51' ' ' LEU . 16.5 t-20 -138.76 120.34 15.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.491 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 69.3 m -111.59 144.7 40.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 108.286 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.5 p -152.01 163.29 39.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 108.326 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.505 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 41.7 mtp180 -112.58 46.24 1.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.258 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.555 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -133.54 144.45 49.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.382 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.441 ' OD1' HD12 ' A' ' 1' ' ' LEU . 18.9 m-20 -61.18 139.86 58.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.5 mtt180 40.93 38.91 0.73 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.555 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 20.7 p -86.0 -24.53 26.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 108.29 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.477 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 25.7 p-10 -94.0 41.85 1.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.639 ' CB ' ' CD2' ' A' ' 4' ' ' HIS . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.112 0 CA-C-O 116.99 -1.481 . . . . 0.0 109.259 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.427 HD12 ' OD1' ' A' ' 57' ' ' ASP . 13.3 tp . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -110.0 144.24 38.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.105 . . . . 0.0 110.279 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.142 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 10.1 m -137.56 137.55 38.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 108.27 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.542 ' CD2' ' CB ' ' A' ' 61' ' ' ASN . 29.7 m-70 -60.31 146.96 42.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.574 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.445 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 3.7 p-10 -130.94 15.38 5.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.481 ' CD ' ' NH2' ' A' ' 38' ' ' ARG . 0.1 OUTLIER -75.58 144.25 41.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 110.314 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.488 ' CG ' ' N ' ' A' ' 8' ' ' SER . 27.0 tt0 -106.28 159.1 16.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.265 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.488 ' N ' ' CG ' ' A' ' 7' ' ' GLN . 7.1 m 34.08 -131.5 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 110.042 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.3 m -93.56 -0.31 56.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.982 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.591 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 11.5 mt-30 -44.33 169.31 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.328 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.591 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.9 Cg_exo -58.9 126.13 20.24 Favored 'Trans proline' 0 C--N 1.325 -0.681 0 C-N-CA 124.351 3.367 . . . . 0.0 109.867 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.8 Cg_exo -58.86 126.2 20.47 Favored 'Trans proline' 0 C--N 1.325 -0.704 0 C-N-CA 124.363 3.375 . . . . 0.0 109.885 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.497 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.1 p -133.54 174.76 10.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.389 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 p -145.18 157.43 44.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.384 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.5 ptpt -148.09 149.27 31.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.338 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.9 m -77.22 126.92 31.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.38 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 1.142 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -79.62 122.22 26.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 108.312 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.4 t -102.43 116.56 32.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.977 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 78.88 -11.69 26.65 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.494 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 8.4 mt-10 -103.49 158.81 16.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 110.272 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.0 p -138.42 15.95 2.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 110.368 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.499 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 22.8 m-80 -135.12 155.05 51.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.466 ' O ' ' HA ' ' A' ' 53' ' ' CYS . 37.8 m -116.96 136.61 52.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 108.289 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.666 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 16.1 p90 -114.91 152.41 32.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.557 ' HG2' ' CE3' ' A' ' 27' ' ' TRP . 44.9 tttp -136.32 116.77 13.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.58 ' HD2' HG12 ' A' ' 45' ' ' VAL . 13.9 mtmm -109.8 140.76 43.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.6 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 24.5 p90 -160.54 144.13 13.65 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.627 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 34.1 p90 -159.87 171.14 19.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 107.982 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.9 t -104.63 154.01 20.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.979 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -147.49 166.58 26.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 37.9 m-70 -67.32 -10.6 52.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.57 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -102.55 -28.21 12.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.302 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.66 -174.93 33.65 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.529 1.143 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.2 m -85.7 113.04 21.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 0.758 . . . . 0.0 110.417 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.627 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 13.2 mt -88.69 131.95 34.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.471 ' O ' ' HA ' ' A' ' 7' ' ' GLN . 10.6 mt -126.38 123.31 63.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.443 ' OE2' ' NZ ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -132.55 114.29 14.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.486 ' NH1' ' C ' ' A' ' 61' ' ' ASN . 12.2 mtm180 -126.64 160.61 30.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.666 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -173.22 -168.59 34.62 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.497 1.123 . . . . 0.0 111.014 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.0 m -85.41 151.33 24.07 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.403 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 95.45 -167.78 26.3 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.508 1.13 . . . . 0.0 110.966 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 36.7 t -145.25 74.18 14.21 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.658 ' O ' HD21 ' A' ' 51' ' ' LEU . 61.5 Cg_endo -69.82 -179.62 3.07 Favored 'Trans proline' 0 C--N 1.325 -0.706 0 C-N-CA 124.197 3.265 . . . . 0.0 110.825 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -113.81 140.79 48.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.831 HG13 HD22 ' A' ' 51' ' ' LEU . 14.4 m -114.28 161.6 12.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.479 ' HB3' ' CD ' ' A' ' 47' ' ' PRO . 10.2 mtpp -86.28 171.13 10.89 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.479 ' CD ' ' HB3' ' A' ' 46' ' ' LYS . 51.8 Cg_exo -58.92 133.03 50.99 Favored 'Trans proline' 0 C--N 1.324 -0.726 0 C-N-CA 124.306 3.337 . . . . 0.0 109.86 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.73 -35.34 5.05 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.5 t -81.28 146.85 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.562 0.801 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.6 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 52.2 m-80 -101.49 140.93 35.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.831 HD22 HG13 ' A' ' 45' ' ' VAL . 19.8 tp -141.07 140.15 34.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.611 ' H ' HD12 ' A' ' 51' ' ' LEU . 1.5 t-20 -139.38 119.64 13.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.338 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.466 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 61.5 m -110.12 146.06 36.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 108.312 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.5 p -153.42 162.65 41.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 108.347 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.499 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 39.0 mtt-85 -112.08 45.92 1.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.56 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -132.57 144.41 50.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.406 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.427 ' OD1' HD12 ' A' ' 1' ' ' LEU . 17.5 m-20 -61.12 139.35 58.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 40.83 39.47 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.257 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.56 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 21.2 p -86.11 -23.6 26.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 108.271 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.45 ' O ' ' NE ' ' A' ' 38' ' ' ARG . 28.1 p-10 -94.19 42.33 1.09 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.584 1.178 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.542 ' CB ' ' CD2' ' A' ' 4' ' ' HIS . 1.8 p-10 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 116.974 -1.489 . . . . 0.0 109.347 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.427 HD12 ' OD1' ' A' ' 57' ' ' ASP . 12.8 tp . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -110.46 145.08 38.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 110.289 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.132 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 12.1 m -137.39 137.23 38.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 108.364 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.516 ' HA ' ' O ' ' A' ' 13' ' ' THR . 36.6 m-70 -62.64 139.05 58.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.569 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.441 ' OD1' ' C ' ' A' ' 5' ' ' ASN . 4.4 p30 -120.22 9.41 11.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.45 ' O ' ' NH1' ' A' ' 38' ' ' ARG . 2.4 pt20 -67.32 141.94 56.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.452 ' O ' ' C ' ' A' ' 8' ' ' SER . 7.3 pt20 -106.66 157.43 17.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.267 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 7' ' ' GLN . 6.1 m 35.34 -133.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.997 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.3 m -91.32 -0.93 57.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.984 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.6 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 10.4 mm100 -44.45 168.78 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.6 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.5 Cg_exo -58.82 129.33 31.63 Favored 'Trans proline' 0 C--N 1.325 -0.681 0 C-N-CA 124.362 3.375 . . . . 0.0 109.911 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.7 Cg_exo -58.88 125.25 17.67 Favored 'Trans proline' 0 C--N 1.325 -0.698 0 C-N-CA 124.351 3.367 . . . . 0.0 109.865 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.516 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.1 p -132.58 174.82 9.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.371 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -145.58 156.59 43.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.4 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.0 mmmt -147.15 148.84 31.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.583 1.177 . . . . 0.0 109.329 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.6 m -77.78 128.22 33.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.392 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 1.132 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -81.29 122.12 27.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 108.324 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.1 t -102.63 116.38 32.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.051 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 78.13 -10.7 26.13 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.493 1.121 . . . . 0.0 110.965 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.499 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 6.7 mt-10 -103.6 159.88 15.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 0.787 . . . . 0.0 110.307 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.1 p -139.12 15.96 2.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.412 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.504 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 21.0 m-80 -135.33 155.3 50.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.492 ' O ' ' HA ' ' A' ' 53' ' ' CYS . 39.8 m -116.96 136.2 53.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 108.298 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.611 ' CE2' ' C ' ' A' ' 39' ' ' GLY . 16.8 p90 -115.44 153.86 30.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 111.013 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.494 ' HG3' ' CD ' ' A' ' 38' ' ' ARG . 32.9 tttm -141.2 118.6 11.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.917 ' CD ' HD13 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -109.82 141.7 42.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.607 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 22.6 p90 -159.44 142.75 14.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 107.986 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.617 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 39.4 p90 -157.07 168.86 26.22 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.5 t -105.3 149.82 25.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 110.025 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -145.55 165.96 27.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 34.4 p-80 -68.0 -9.3 44.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.586 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -102.37 -28.19 12.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 154.96 -174.86 33.15 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.546 1.154 . . . . 0.0 110.967 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.0 m -89.84 113.59 25.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 0.766 . . . . 0.0 110.445 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.617 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 18.2 mt -89.89 133.64 31.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.494 HG23 ' HB3' ' A' ' 27' ' ' TRP . 7.7 mt -129.92 123.69 57.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -128.34 114.61 17.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 110.272 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.494 ' CD ' ' HG3' ' A' ' 25' ' ' LYS . 15.1 mtt85 -118.35 160.61 21.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.257 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.611 ' C ' ' CE2' ' A' ' 24' ' ' TYR . . . -177.59 -174.26 43.79 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.404 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 21.0 m -86.71 151.72 23.16 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.405 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 95.94 -167.19 25.23 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.478 1.111 . . . . 0.0 111.024 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.413 ' HA ' ' HB3' ' A' ' 24' ' ' TYR . 39.6 t -146.61 74.67 12.44 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.565 ' O ' HD21 ' A' ' 51' ' ' LEU . 61.9 Cg_endo -69.83 178.27 4.79 Favored 'Trans proline' 0 C--N 1.325 -0.666 0 C-N-CA 124.179 3.252 . . . . 0.0 110.831 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.73 142.44 44.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.731 HG11 ' CG ' ' A' ' 26' ' ' LYS . 14.5 m -118.29 163.71 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.361 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.483 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 26.7 mttp -87.05 170.49 12.03 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.483 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 51.8 Cg_exo -58.93 134.8 62.49 Favored 'Trans proline' 0 C--N 1.325 -0.671 0 C-N-CA 124.372 3.381 . . . . 0.0 109.848 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.42 -35.56 4.88 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.457 1.098 . . . . 0.0 111.013 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.5 t -81.2 144.09 11.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 0.75 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.607 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 52.3 m-80 -98.73 140.16 33.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.917 HD13 ' CD ' ' A' ' 26' ' ' LYS . 15.1 tp -138.52 141.64 39.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.751 ' H ' HD12 ' A' ' 51' ' ' LEU . 9.7 t30 -139.25 117.34 11.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.492 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 69.4 m -111.59 143.64 42.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.11 . . . . 0.0 108.271 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.5 p -151.94 163.24 39.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 108.264 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.504 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 39.7 mtt180 -112.32 45.83 1.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.328 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.557 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -132.8 144.39 50.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.408 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.427 ' OD1' HD12 ' A' ' 1' ' ' LEU . 19.6 m-20 -61.39 139.87 58.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.2 mtt180 41.26 38.51 0.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.301 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.557 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 19.9 p -86.36 -23.67 26.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 108.304 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.479 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 25.7 p-10 -95.41 48.33 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.435 ' OD1' ' CE1' ' A' ' 4' ' ' HIS . 65.9 t30 . . . . . 0 C--O 1.25 1.128 0 CA-C-O 117.01 -1.472 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.483 HD12 ' OD1' ' A' ' 57' ' ' ASP . 15.5 tp . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.449 ' OE1' ' NE ' ' A' ' 58' ' ' ARG . 10.7 tt0 -109.8 148.74 30.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.27 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.168 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 10.2 m -140.39 139.91 35.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 108.33 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.559 ' CD2' ' HB2' ' A' ' 61' ' ' ASN . 35.1 m-70 -65.62 136.56 56.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.566 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.447 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 4.2 p-10 -118.85 15.27 13.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.416 ' CD ' ' HA ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -75.58 140.84 42.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.27 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.461 ' O ' ' C ' ' A' ' 8' ' ' SER . 29.4 mt-30 -106.89 161.92 14.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.461 ' C ' ' O ' ' A' ' 7' ' ' GLN . 4.2 m 34.74 -134.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.05 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.1 p -93.16 -0.16 57.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.947 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.578 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 2.0 mm100 -44.48 169.07 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.578 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.8 Cg_exo -58.91 128.44 27.97 Favored 'Trans proline' 0 C--N 1.326 -0.648 0 C-N-CA 124.34 3.36 . . . . 0.0 109.856 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.6 Cg_exo -58.93 125.57 18.58 Favored 'Trans proline' 0 C--N 1.325 -0.675 0 C-N-CA 124.32 3.347 . . . . 0.0 109.882 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.464 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.2 p -132.8 174.24 10.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.379 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.589 HG21 ' HD3' ' A' ' 58' ' ' ARG . 1.5 p -140.63 158.13 44.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.399 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.4 mtmt -149.42 148.4 29.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.2 m -78.07 135.27 37.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.451 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 1.168 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -89.15 122.01 32.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 108.278 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.0 p -102.57 116.44 32.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 110.033 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.52 -11.04 20.2 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.475 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 12.0 mt-10 -103.72 156.11 18.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 0.803 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.451 ' C ' ' CD2' ' A' ' 1' ' ' LEU . 4.6 p -135.1 15.73 3.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.387 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.481 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 24.7 m-80 -135.19 154.79 51.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.486 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 39.8 m -116.64 138.0 51.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 108.252 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.659 ' HB2' HD11 ' A' ' 51' ' ' LEU . 18.7 p90 -117.0 152.96 33.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 111.028 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -139.25 119.04 13.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.276 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.525 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 5.3 mtpp -109.33 142.15 40.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.597 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 26.2 p90 -160.14 143.78 14.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 108.032 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.628 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 32.0 p90 -160.03 170.94 20.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 107.975 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.7 p -104.79 152.39 22.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.011 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -145.86 167.04 24.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -67.12 -11.17 56.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.598 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -102.39 -28.18 12.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.342 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.34 -174.93 33.42 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.477 1.111 . . . . 0.0 111.018 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.1 m -86.35 115.46 23.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.754 . . . . 0.0 110.391 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.628 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 17.8 mt -90.79 136.98 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.533 HG23 ' HB3' ' A' ' 27' ' ' TRP . 6.9 mt -132.34 128.89 59.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -133.26 114.66 14.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.285 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.477 ' CZ ' ' OXT' ' A' ' 61' ' ' ASN . 12.7 mtt85 -115.61 160.6 19.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.611 ' C ' ' CE2' ' A' ' 24' ' ' TYR . . . -178.37 -177.35 47.0 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.535 1.147 . . . . 0.0 110.977 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.48 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 20.3 m -86.19 151.97 23.2 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.411 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 95.69 -168.04 26.15 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.447 1.092 . . . . 0.0 111.0 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.405 ' HA ' ' HB3' ' A' ' 24' ' ' TYR . 37.8 t -144.89 74.28 14.68 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.561 ' O ' HD21 ' A' ' 51' ' ' LEU . 62.0 Cg_endo -69.83 -179.69 3.12 Favored 'Trans proline' 0 C--N 1.325 -0.674 0 C-N-CA 124.167 3.245 . . . . 0.0 110.847 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.5 140.61 47.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.241 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.808 HG13 HD22 ' A' ' 51' ' ' LEU . 13.7 m -114.57 163.02 12.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.473 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 15.3 mtmt -86.56 170.0 13.59 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.473 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 51.9 Cg_exo -58.92 134.11 58.04 Favored 'Trans proline' 0 C--N 1.325 -0.677 0 C-N-CA 124.351 3.367 . . . . 0.0 109.828 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.49 -35.52 4.92 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.5 t -81.74 146.08 7.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.557 0.799 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.597 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 51.8 m-80 -100.21 142.69 31.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.808 HD22 HG13 ' A' ' 45' ' ' VAL . 34.9 tp -141.76 140.98 33.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.523 ' H ' HD12 ' A' ' 51' ' ' LEU . 3.0 t-20 -138.68 118.46 13.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 67.9 m -110.5 143.98 40.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 108.299 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.3 p -151.94 164.78 36.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 108.327 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.481 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 39.6 mtm180 -111.69 45.92 1.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.557 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.2 p -134.43 143.61 47.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 110.382 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.483 ' OD1' HD12 ' A' ' 1' ' ' LEU . 0.8 OUTLIER -62.53 141.85 58.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.589 ' HD3' HG21 ' A' ' 14' ' ' THR . 18.3 mtt85 42.81 35.15 0.67 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.557 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 16.4 p -86.51 -22.78 26.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 108.295 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.486 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 20.5 p-10 -95.6 49.49 1.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.559 ' HB2' ' CD2' ' A' ' 4' ' ' HIS . 1.7 t-20 . . . . . 0 C--O 1.25 1.107 0 CA-C-O 117.015 -1.469 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.428 HD12 ' OD1' ' A' ' 57' ' ' ASP . 13.5 tp . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.4 mp0 -111.65 146.35 37.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.081 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 12.4 m -136.68 137.23 39.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.163 . . . . 0.0 108.252 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.536 ' CD2' ' HB2' ' A' ' 61' ' ' ASN . 34.0 m-70 -60.5 146.3 45.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.621 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.428 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 4.5 p-10 -131.3 15.08 5.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.445 ' NE2' ' OD1' ' A' ' 61' ' ' ASN . 27.9 pt20 -65.32 143.3 57.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.549 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 3.7 tp-100 -106.83 132.57 52.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.447 ' N ' ' OE1' ' A' ' 7' ' ' GLN . 14.7 m 52.47 -129.69 2.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.017 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.0 m -92.3 1.09 57.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.993 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.649 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 9.0 mm-40 -46.21 169.12 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 110.305 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.649 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.7 Cg_exo -58.97 132.95 50.4 Favored 'Trans proline' 0 C--N 1.325 -0.709 0 C-N-CA 124.348 3.366 . . . . 0.0 109.871 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 52.0 Cg_exo -58.91 122.5 11.72 Favored 'Trans proline' 0 C--N 1.325 -0.708 0 C-N-CA 124.376 3.384 . . . . 0.0 109.869 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.486 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.0 p -132.52 172.99 11.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.37 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.471 HG21 ' NE ' ' A' ' 58' ' ' ARG . 2.0 p -145.58 157.79 43.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 110.399 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.45 149.54 34.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.4 m -77.12 132.85 39.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 110.405 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 1.081 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -87.33 121.93 30.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 108.34 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.9 t -102.86 116.28 32.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.158 . . . . 0.0 110.027 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 78.05 -10.82 25.0 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.548 1.155 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.489 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 10.3 mt-10 -103.56 156.2 17.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 0.764 . . . . 0.0 110.26 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.1 p -135.39 15.54 3.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.164 . . . . 0.0 110.359 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.492 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 24.2 m-80 -134.43 154.95 51.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 109.289 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.464 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 51.6 m -117.5 138.51 51.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 108.314 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.686 ' HB2' HD11 ' A' ' 51' ' ' LEU . 12.4 p90 -118.14 149.88 40.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 111.042 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.543 ' HE3' ' CZ3' ' A' ' 27' ' ' TRP . 21.6 ttpt -136.37 118.35 15.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.594 ' HG2' HD13 ' A' ' 51' ' ' LEU . 9.5 mttt -109.48 142.24 40.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.585 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 25.5 p90 -158.27 144.92 17.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 107.986 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.632 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 39.4 p90 -160.01 169.88 22.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 107.984 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.1 t -105.18 151.61 23.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.998 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.488 ' OD2' ' CD1' ' A' ' 35' ' ' ILE . 94.4 m-20 -145.7 166.77 24.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -67.52 -9.95 47.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.627 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -102.48 -28.41 12.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 154.84 -174.94 33.06 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.474 1.109 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.1 m -85.86 116.51 24.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 0.747 . . . . 0.0 110.422 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.632 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 15.7 mt -93.23 135.82 26.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.668 HG21 ' NH1' ' A' ' 38' ' ' ARG . 7.8 mt -129.92 122.7 55.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -123.93 113.85 19.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.668 ' NH1' HG21 ' A' ' 36' ' ' ILE . 23.8 mtt85 -116.14 160.35 20.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.658 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -178.6 179.69 48.65 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.499 1.124 . . . . 0.0 111.021 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.0 m -84.57 151.49 24.51 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.4 -165.51 25.0 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.463 1.102 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 35.2 t -144.85 73.66 14.91 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.623 ' O ' HD21 ' A' ' 51' ' ' LEU . 61.6 Cg_endo -69.8 -179.24 2.79 Favored 'Trans proline' 0 C--N 1.325 -0.686 0 C-N-CA 124.223 3.282 . . . . 0.0 110.834 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.9 ptmt -114.85 140.79 48.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.78 HG13 HD22 ' A' ' 51' ' ' LEU . 18.9 m -113.75 163.48 10.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.466 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 15.6 mttm -85.33 169.76 15.18 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.466 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 51.6 Cg_exo -58.9 133.95 57.03 Favored 'Trans proline' 0 C--N 1.325 -0.71 0 C-N-CA 124.333 3.355 . . . . 0.0 109.873 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.18 -35.21 5.1 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.517 1.136 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.468 HG13 ' CE3' ' A' ' 28' ' ' TRP . 2.6 t -81.75 146.05 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.585 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 53.1 m-80 -99.54 144.54 28.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.78 HD22 HG13 ' A' ' 45' ' ' VAL . 25.3 tp -144.63 139.92 28.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.338 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.563 ' H ' HD12 ' A' ' 51' ' ' LEU . 1.6 t-20 -138.81 120.03 14.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.454 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 61.2 m -109.76 145.0 37.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 108.284 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 p -153.9 164.22 38.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 108.314 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.492 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 48.4 mtt180 -111.7 45.79 1.19 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.58 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -132.2 144.18 50.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.436 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.428 ' OD1' HD12 ' A' ' 1' ' ' LEU . 19.7 m-20 -61.33 140.27 58.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.471 ' NE ' HG21 ' A' ' 14' ' ' THR . 24.0 mtt180 41.43 37.46 0.67 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.143 . . . . 0.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.58 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 16.7 p -86.98 -22.03 25.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 108.328 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.464 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 17.8 p-10 -95.3 48.19 1.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.536 ' HB2' ' CD2' ' A' ' 4' ' ' HIS . 12.9 t30 . . . . . 0 C--O 1.25 1.09 0 CA-C-O 116.997 -1.478 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.423 HD12 ' OD1' ' A' ' 57' ' ' ASP . 12.8 tp . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -109.72 145.89 35.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.343 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 1.14 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 11.1 m -137.71 137.27 38.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 108.334 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.561 ' CD2' ' HB3' ' A' ' 61' ' ' ASN . 35.4 m-70 -62.31 138.64 58.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.592 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.44 ' OD1' ' C ' ' A' ' 5' ' ' ASN . 4.7 p30 -120.87 10.21 10.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -68.25 141.39 55.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.455 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 2.1 mm-40 -106.63 159.07 16.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.323 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 7' ' ' GLN . 3.6 m 35.49 -135.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.988 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 10' ' ' GLN . 66.7 m -90.8 -1.04 57.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.999 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.594 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 36.1 mm-40 -44.24 168.83 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.336 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.594 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.8 Cg_exo -58.92 131.68 43.19 Favored 'Trans proline' 0 C--N 1.325 -0.699 0 C-N-CA 124.369 3.379 . . . . 0.0 109.872 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.6 Cg_exo -58.86 126.57 21.54 Favored 'Trans proline' 0 C--N 1.325 -0.669 0 C-N-CA 124.343 3.362 . . . . 0.0 109.89 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.504 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.0 p -132.85 174.47 10.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.419 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.437 HG21 ' NE ' ' A' ' 58' ' ' ARG . 2.2 p -145.52 157.85 43.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.168 . . . . 0.0 110.41 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.411 ' HD3' ' N ' ' A' ' 16' ' ' THR . 6.3 tmtt? -149.0 148.93 30.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.411 ' N ' ' HD3' ' A' ' 15' ' ' LYS . 3.7 m -77.62 132.9 38.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.407 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 1.14 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -87.04 121.9 30.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 108.312 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.6 t -102.91 116.49 32.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 109.96 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 78.81 -11.11 28.76 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.498 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 14.9 mt-10 -103.33 159.88 15.18 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.52 0.776 . . . . 0.0 110.254 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.2 p -138.91 15.46 2.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 110.44 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.501 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 22.8 m-80 -134.92 155.12 51.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.478 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 52.8 m -117.2 137.18 52.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 108.348 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.657 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 12.5 p90 -116.9 152.91 33.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.468 ' HG2' ' CE3' ' A' ' 27' ' ' TRP . 20.4 ttpp -139.44 117.9 12.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.57 ' HG2' HD13 ' A' ' 51' ' ' LEU . 8.3 mtmt -109.3 141.76 41.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.579 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 27.9 p90 -159.3 144.83 16.01 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.642 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 37.9 p90 -160.43 170.09 21.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 107.97 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.4 m -104.97 153.72 21.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 109.986 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.492 ' OD2' ' CD1' ' A' ' 35' ' ' ILE . 87.6 m-20 -147.93 166.94 26.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 31.1 m80 -67.19 -10.59 52.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.639 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.8 ttp85 -102.4 -28.17 12.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.12 -174.92 33.26 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.48 1.113 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.5 m -87.11 114.27 23.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 0.79 . . . . 0.0 110.398 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.642 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 15.6 mt -89.85 134.61 28.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.536 HG23 ' HB3' ' A' ' 27' ' ' TRP . 8.0 mt -130.14 124.18 57.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.432 ' HB3' ' CE ' ' A' ' 26' ' ' LYS . 35.1 tp10 -129.44 114.49 16.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.454 ' NH1' ' C ' ' A' ' 61' ' ' ASN . 50.5 mtt180 -119.73 160.43 22.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.657 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -176.73 -176.05 44.56 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.522 1.139 . . . . 0.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.0 m -84.21 151.58 24.75 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.68 -165.9 24.87 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.527 1.142 . . . . 0.0 110.959 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 36.9 t -145.93 74.03 13.4 Favored Pre-proline 0 C--N 1.325 -0.461 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.631 ' O ' HD21 ' A' ' 51' ' ' LEU . 61.5 Cg_endo -69.81 -179.49 2.97 Favored 'Trans proline' 0 C--N 1.325 -0.694 0 C-N-CA 124.173 3.249 . . . . 0.0 110.831 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.2 tptp -114.87 140.51 48.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.802 HG13 HD22 ' A' ' 51' ' ' LEU . 18.2 m -113.89 163.41 11.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.471 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 21.3 mttp -85.5 169.92 14.59 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.471 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 52.0 Cg_exo -58.94 133.76 55.72 Favored 'Trans proline' 0 C--N 1.324 -0.731 0 C-N-CA 124.382 3.388 . . . . 0.0 109.834 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.39 -35.24 5.1 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.506 1.128 . . . . 0.0 111.025 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.462 HG13 ' CE3' ' A' ' 28' ' ' TRP . 2.5 t -81.47 145.86 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 0.759 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.579 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 51.9 m-80 -98.91 143.75 28.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.802 HD22 HG13 ' A' ' 45' ' ' VAL . 21.7 tp -144.14 139.28 28.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.565 ' H ' HD12 ' A' ' 51' ' ' LEU . 8.3 t30 -138.4 120.49 15.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.362 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.459 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 65.8 m -111.36 145.06 39.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 108.28 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 p -153.33 163.78 39.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 108.257 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.501 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 31.2 mtp180 -111.95 45.76 1.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.133 . . . . 0.0 110.34 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.565 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -132.38 144.27 50.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.414 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.423 ' OD1' HD12 ' A' ' 1' ' ' LEU . 19.6 m-20 -61.4 139.82 58.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.437 ' NE ' HG21 ' A' ' 14' ' ' THR . 20.0 mtt180 41.53 38.56 0.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.565 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 18.6 p -87.12 -23.08 24.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 108.316 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.478 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 22.2 p-10 -95.1 46.79 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.561 ' HB3' ' CD2' ' A' ' 4' ' ' HIS . 2.2 p-10 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 116.992 -1.48 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.427 HD12 ' OD1' ' A' ' 57' ' ' ASP . 12.8 tp . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -109.04 144.65 36.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 110.273 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 1.149 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 10.9 m -137.48 137.2 38.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 108.288 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.51 ' HA ' ' O ' ' A' ' 13' ' ' THR . 37.7 m-70 -62.89 139.76 58.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.626 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.442 ' OD1' ' C ' ' A' ' 5' ' ' ASN . 4.4 p30 -121.22 9.52 10.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -66.72 139.28 57.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.33 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.453 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 0.6 OUTLIER -106.33 161.53 14.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 7' ' ' GLN . 6.6 m 35.04 -132.4 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.977 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.5 m -95.06 -1.03 53.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.991 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.565 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 2.7 mt-30 -44.7 168.86 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 110.318 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.565 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.8 Cg_exo -58.94 130.6 37.39 Favored 'Trans proline' 0 C--N 1.325 -0.705 0 C-N-CA 124.341 3.36 . . . . 0.0 109.855 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.8 Cg_exo -58.92 126.79 22.14 Favored 'Trans proline' 0 C--N 1.325 -0.683 0 C-N-CA 124.357 3.372 . . . . 0.0 109.914 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.51 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.0 p -132.66 174.71 10.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.406 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 p -145.5 156.48 43.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 110.429 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.3 mtpt -147.43 149.26 32.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.444 1.09 . . . . 0.0 109.328 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.6 m -77.35 130.95 37.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.413 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 1.149 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.8 m -85.62 121.94 29.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 108.269 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.5 t -103.3 116.9 33.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.007 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 79.42 -10.88 34.17 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.484 1.115 . . . . 0.0 110.954 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.507 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 5.1 mt-10 -103.08 161.2 13.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 0.742 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.6 p -140.53 15.34 2.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.381 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.499 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 22.8 m-80 -135.64 154.89 51.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.489 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 51.5 m -117.38 138.28 51.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 108.286 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.677 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 12.1 p90 -117.96 153.33 33.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.093 . . . . 0.0 111.001 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.558 ' HE3' ' CZ3' ' A' ' 27' ' ' TRP . 17.5 ttpt -139.7 117.68 11.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.621 ' HG2' HD13 ' A' ' 51' ' ' LEU . 12.9 mtmt -109.36 142.75 39.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.57 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 24.3 p90 -160.12 144.38 14.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 108.011 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.625 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 35.3 p90 -162.13 171.02 18.12 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.9 t -102.66 153.18 20.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -146.36 166.46 26.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.46 ' H ' ' CD2' ' A' ' 31' ' ' HIS . 6.4 p80 -66.77 -11.3 54.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.608 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 64.1 mtt180 -102.47 -28.15 12.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.301 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.21 -174.92 33.33 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.2 m -82.92 113.13 20.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 0.794 . . . . 0.0 110.358 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.625 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 11.2 mt -88.81 131.51 36.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.514 HG21 HH21 ' A' ' 38' ' ' ARG . 11.1 mt -126.66 122.4 60.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.396 1.06 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 65.5 tt0 -129.08 114.3 16.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.271 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.514 HH21 HG21 ' A' ' 36' ' ' ILE . 45.8 mtt180 -124.98 161.0 27.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.677 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -176.15 -172.68 41.12 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.567 1.167 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.7 m -84.0 150.95 25.29 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.5 -165.67 24.97 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 35.8 t -145.4 74.34 13.99 Favored Pre-proline 0 C--N 1.325 -0.465 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.651 ' O ' HD21 ' A' ' 51' ' ' LEU . 61.6 Cg_endo -69.81 -179.14 2.73 Favored 'Trans proline' 0 C--N 1.325 -0.686 0 C-N-CA 124.205 3.27 . . . . 0.0 110.846 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.95 140.97 48.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.254 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.813 HG13 HD22 ' A' ' 51' ' ' LEU . 17.0 m -113.67 162.32 11.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.472 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 29.3 mtmt -85.61 170.38 13.21 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.472 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 51.7 Cg_exo -58.83 133.21 52.37 Favored 'Trans proline' 0 C--N 1.325 -0.674 0 C-N-CA 124.359 3.373 . . . . 0.0 109.855 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.39 -35.24 5.1 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.527 1.142 . . . . 0.0 110.983 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.528 HG13 ' CE3' ' A' ' 28' ' ' TRP . 2.6 t -81.49 147.21 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 0.749 . . . . 0.0 109.257 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.57 ' O ' ' HA ' ' A' ' 26' ' ' LYS . 53.0 m-80 -100.78 144.33 29.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.337 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.813 HD22 HG13 ' A' ' 45' ' ' VAL . 18.1 tp -144.49 139.76 28.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.633 ' H ' HD12 ' A' ' 51' ' ' LEU . 2.4 t-20 -138.72 120.44 15.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.469 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 63.2 m -111.16 146.1 37.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 108.265 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 p -153.97 163.89 39.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 108.299 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.499 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 16.2 mtt85 -112.06 46.05 1.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.33 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.565 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -133.04 144.48 50.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.351 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.427 ' OD1' HD12 ' A' ' 1' ' ' LEU . 19.5 m-20 -61.19 140.19 57.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.2 mtt180 41.02 38.24 0.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.306 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.565 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 18.9 p -86.33 -21.68 27.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 108.294 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.489 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 25.6 p-10 -95.18 47.26 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.448 ' OXT' ' NH1' ' A' ' 38' ' ' ARG . 11.5 t-20 . . . . . 0 C--O 1.25 1.125 0 CA-C-O 117.003 -1.475 . . . . 0.0 109.326 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.423 HD12 ' OD1' ' A' ' 57' ' ' ASP . 13.2 tp . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -111.05 145.62 38.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 1.178 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 10.0 m -137.39 137.45 38.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 0.0 108.305 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.506 ' HA ' ' O ' ' A' ' 13' ' ' THR . 37.0 m-70 -62.64 139.96 58.67 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 109.621 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.442 ' OD1' ' C ' ' A' ' 5' ' ' ASN . 4.4 p30 -121.62 9.41 10.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.448 ' O ' ' NH1' ' A' ' 38' ' ' ARG . 2.1 pt20 -66.78 140.89 57.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.442 ' O ' ' C ' ' A' ' 8' ' ' SER . 23.4 mp0 -106.31 156.74 18.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.284 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 7' ' ' GLN . 5.5 m 36.04 -133.41 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.03 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.9 m -91.33 -1.29 57.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.598 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 37.6 mm-40 -44.47 168.71 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.598 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.7 Cg_exo -58.95 128.98 29.85 Favored 'Trans proline' 0 C--N 1.325 -0.7 0 C-N-CA 124.329 3.353 . . . . 0.0 109.877 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.7 Cg_exo -58.93 125.48 18.32 Favored 'Trans proline' 0 C--N 1.324 -0.717 0 C-N-CA 124.344 3.363 . . . . 0.0 109.862 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.506 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.0 p -132.48 174.85 9.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.41 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -145.3 156.76 44.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.405 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.5 mttt -146.93 149.06 32.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.7 m -77.71 127.71 32.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 110.405 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 1.178 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -81.2 122.03 26.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 0.0 108.285 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.9 p -102.66 116.63 32.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.59 1.181 . . . . 0.0 110.004 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 78.35 -11.34 24.7 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.565 1.166 . . . . 0.0 110.993 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.487 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 10.2 mt-10 -103.49 156.57 17.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.272 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.9 p -135.65 15.76 3.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.377 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.499 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 23.1 m-80 -134.98 155.03 51.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.476 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 52.0 m -117.32 137.6 52.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 108.297 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.659 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 12.7 p90 -117.26 153.19 33.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.479 ' HG3' ' CD ' ' A' ' 38' ' ' ARG . 24.1 ttpt -140.39 117.62 11.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.594 ' HG2' HD13 ' A' ' 51' ' ' LEU . 6.9 mttt -109.26 142.63 39.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.583 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 25.4 p90 -159.29 144.67 15.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 108.002 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.626 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 36.6 p90 -161.3 171.03 19.05 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 96.9 p -103.82 152.98 21.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.014 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -146.57 166.97 24.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -67.28 -11.07 56.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.585 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.0 mmm-85 -102.37 -28.13 12.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.07 -174.99 33.22 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.486 1.116 . . . . 0.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.8 m -84.24 113.61 21.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 0.758 . . . . 0.0 110.432 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.626 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 13.5 mt -89.3 132.69 33.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.519 HG23 ' HB3' ' A' ' 27' ' ' TRP . 8.1 mt -128.99 122.64 57.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -126.87 114.31 17.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.326 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.479 ' CD ' ' HG3' ' A' ' 25' ' ' LYS . 12.7 mtt85 -118.99 160.74 21.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.659 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -177.99 -176.25 45.81 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.469 1.105 . . . . 0.0 111.025 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.434 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 19.0 m -85.04 152.02 23.74 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.402 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 95.62 -165.63 24.79 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 37.3 t -145.98 73.47 13.46 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.628 ' O ' HD21 ' A' ' 51' ' ' LEU . 61.8 Cg_endo -69.79 -179.28 2.81 Favored 'Trans proline' 0 C--N 1.325 -0.669 0 C-N-CA 124.188 3.259 . . . . 0.0 110.83 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.0 140.63 48.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.788 HG13 HD22 ' A' ' 51' ' ' LEU . 18.7 m -113.74 163.56 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.468 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 22.5 mtpt -85.44 169.78 15.03 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.468 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 51.8 Cg_exo -58.86 133.88 56.65 Favored 'Trans proline' 0 C--N 1.325 -0.677 0 C-N-CA 124.402 3.401 . . . . 0.0 109.845 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.2 -35.15 5.15 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.523 1.139 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.502 HG13 ' CE3' ' A' ' 28' ' ' TRP . 2.6 t -81.63 146.26 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.56 0.8 . . . . 0.0 109.327 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.583 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 52.7 m-80 -99.22 144.85 27.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.788 HD22 HG13 ' A' ' 45' ' ' VAL . 22.4 tp -145.15 139.66 27.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.576 ' H ' HD12 ' A' ' 51' ' ' LEU . 2.1 t30 -138.74 120.92 15.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.359 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.466 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 63.6 m -111.37 145.25 39.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 108.275 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 p -152.98 163.72 39.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 108.32 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.499 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 14.3 mtm-85 -112.2 46.06 1.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.337 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.568 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -133.02 144.26 49.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.398 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.423 ' OD1' HD12 ' A' ' 1' ' ' LEU . 20.2 m-20 -61.26 140.39 57.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.1 mtt180 41.1 37.82 0.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.568 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 18.1 p -86.37 -23.31 26.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 0.0 108.325 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.476 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 19.4 p-10 -95.47 48.81 1.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 . . . . . 0 C--O 1.25 1.127 0 CA-C-O 116.989 -1.482 . . . . 0.0 109.317 179.973 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.423 HD12 ' OD1' ' A' ' 57' ' ' ASP . 13.1 tp . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 33.8 mp0 -111.08 145.68 38.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 1.154 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 10.5 m -137.57 137.55 38.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 108.311 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.504 ' HA ' ' O ' ' A' ' 13' ' ' THR . 37.3 m-70 -62.94 136.96 58.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.584 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.441 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 4.4 p-10 -119.61 15.11 12.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.26 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.451 ' O ' ' NH1' ' A' ' 38' ' ' ARG . 2.0 pt20 -72.83 141.65 48.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.5 ' CG ' ' N ' ' A' ' 8' ' ' SER . 21.2 tt0 -106.61 159.41 16.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.5 ' N ' ' CG ' ' A' ' 7' ' ' GLN . 4.9 m 34.81 -133.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.999 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.9 p -92.58 -0.69 57.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.013 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.585 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 2.3 mm100 -44.42 169.15 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.585 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.8 Cg_exo -58.93 128.06 26.58 Favored 'Trans proline' 0 C--N 1.324 -0.726 0 C-N-CA 124.395 3.396 . . . . 0.0 109.856 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.9 Cg_exo -58.85 125.69 18.97 Favored 'Trans proline' 0 C--N 1.325 -0.682 0 C-N-CA 124.339 3.36 . . . . 0.0 109.874 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.504 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.1 p -132.7 175.11 9.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.41 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 p -144.26 157.86 44.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.411 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.7 tptt -148.79 149.07 30.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.347 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.6 m -77.44 130.07 36.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.415 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 1.154 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -83.7 122.13 28.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 108.279 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 89.7 p -102.82 116.62 32.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.965 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 78.87 -11.21 28.78 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.502 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 5.7 mt-10 -103.35 159.4 15.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 0.754 . . . . 0.0 110.296 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.1 p -138.53 15.51 2.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.407 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.501 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 23.0 m-80 -135.46 155.14 51.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.477 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 50.5 m -117.26 137.47 52.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 108.293 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.641 ' HB2' HD11 ' A' ' 51' ' ' LEU . 16.9 p90 -117.79 153.32 33.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.975 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.489 ' HG3' ' CD ' ' A' ' 38' ' ' ARG . 36.9 tttm -140.77 118.72 11.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.565 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 0.2 OUTLIER -110.14 143.31 40.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.58 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 25.7 p90 -159.53 144.74 15.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 108.029 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.619 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 34.1 p90 -161.7 171.09 18.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 107.983 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 94.8 p -103.43 152.59 21.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.95 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.418 ' OD1' ' CD1' ' A' ' 28' ' ' TRP . 1.4 m-20 -145.93 166.99 24.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.353 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 41.1 p-80 -67.08 -11.19 56.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.544 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -102.43 -28.23 12.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 110.333 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.0 -175.05 33.15 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.12 . . . . 0.0 111.001 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.1 m -83.61 113.81 21.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.767 . . . . 0.0 110.411 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.619 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 13.7 mt -89.42 132.84 33.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.47 HG23 ' HB3' ' A' ' 27' ' ' TRP . 8.7 mt -128.6 123.52 59.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -128.03 114.32 16.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 110.333 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.489 ' CD ' ' HG3' ' A' ' 25' ' ' LYS . 12.3 mtt85 -119.49 160.86 21.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.262 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.635 ' C ' ' CE2' ' A' ' 24' ' ' TYR . . . -178.39 -175.86 45.84 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.545 1.153 . . . . 0.0 110.985 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.418 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 20.4 m -85.24 151.94 23.7 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.403 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 95.73 -166.37 25.05 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.13 . . . . 0.0 111.034 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.42 ' HA ' ' HB3' ' A' ' 24' ' ' TYR . 37.3 t -145.29 73.76 14.25 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.642 ' O ' HD21 ' A' ' 51' ' ' LEU . 61.5 Cg_endo -69.75 -179.44 2.91 Favored 'Trans proline' 0 C--N 1.324 -0.711 0 C-N-CA 124.199 3.266 . . . . 0.0 110.874 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.0 ptpt -115.28 140.74 48.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.797 HG13 HD22 ' A' ' 51' ' ' LEU . 18.3 m -113.93 163.54 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.473 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 28.8 mtpt -85.59 169.96 14.41 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.341 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.473 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 51.7 Cg_exo -58.88 133.77 55.89 Favored 'Trans proline' 0 C--N 1.324 -0.714 0 C-N-CA 124.422 3.414 . . . . 0.0 109.876 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.36 -35.27 5.08 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.522 1.139 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.458 HG13 ' CE3' ' A' ' 28' ' ' TRP . 2.6 t -81.5 146.7 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 0.76 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.58 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 53.1 m-80 -99.86 144.34 29.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.256 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.797 HD22 HG13 ' A' ' 45' ' ' VAL . 27.0 tp -145.21 139.77 27.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.55 ' H ' HD12 ' A' ' 51' ' ' LEU . 3.2 t-20 -139.04 121.75 16.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 62.2 m -111.89 145.86 38.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 108.269 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 p -153.46 163.6 39.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 108.28 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.501 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 39.5 mtt180 -112.12 45.96 1.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 110.284 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.567 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -132.73 144.31 50.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.416 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.423 ' OD1' HD12 ' A' ' 1' ' ' LEU . 19.9 m-20 -61.37 140.24 58.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.401 ' O ' ' ND2' ' A' ' 61' ' ' ASN . 14.7 mtt180 41.3 37.81 0.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.567 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 18.1 p -86.4 -23.33 26.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 108.299 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.477 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 19.1 p-10 -95.49 49.11 1.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.455 ' O ' ' CZ ' ' A' ' 38' ' ' ARG . 1.6 m120 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 117.045 -1.455 . . . . 0.0 109.34 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.421 HD12 ' OD1' ' A' ' 57' ' ' ASP . 13.1 tp . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -110.44 145.55 37.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 110.291 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 1.168 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 10.7 m -137.38 137.35 38.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 108.293 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.509 ' HA ' ' O ' ' A' ' 13' ' ' THR . 37.7 m-70 -62.86 139.18 58.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.599 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.441 ' OD1' ' C ' ' A' ' 5' ' ' ASN . 4.6 p30 -120.99 10.31 10.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.448 ' O ' ' NH1' ' A' ' 38' ' ' ARG . 2.1 pt20 -67.28 141.21 57.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.491 ' CG ' ' N ' ' A' ' 8' ' ' SER . 22.8 tt0 -106.56 159.01 16.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.491 ' N ' ' CG ' ' A' ' 7' ' ' GLN . 5.7 m 34.66 -133.06 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.036 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.3 m -92.64 -1.39 56.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 110.016 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.579 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 2.1 mm100 -44.44 169.14 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.282 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.579 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.7 Cg_exo -58.99 129.47 32.07 Favored 'Trans proline' 0 C--N 1.325 -0.69 0 C-N-CA 124.322 3.348 . . . . 0.0 109.883 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.9 Cg_exo -58.86 126.41 21.08 Favored 'Trans proline' 0 C--N 1.325 -0.699 0 C-N-CA 124.349 3.366 . . . . 0.0 109.856 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.509 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.0 p -132.42 175.13 9.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.383 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -145.19 157.31 44.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 110.372 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.6 tptt -147.81 148.76 31.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.5 m -77.76 128.76 34.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 0.0 110.364 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 1.168 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -82.14 122.08 27.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 108.277 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 m -102.53 116.54 32.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.038 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.73 -10.9 22.34 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.537 1.148 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.484 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 10.8 mt-10 -103.69 157.08 17.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.777 . . . . 0.0 110.318 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.2 p -136.19 15.9 3.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.083 . . . . 0.0 110.426 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.499 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 22.3 m-80 -134.97 155.19 51.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.481 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 46.2 m -117.54 136.83 52.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 108.296 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.686 ' HB2' HD11 ' A' ' 51' ' ' LEU . 13.0 p90 -116.1 151.21 36.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.473 ' HG3' ' CD ' ' A' ' 38' ' ' ARG . 5.7 ttpm? -136.19 117.14 14.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.582 ' HD2' ' CZ3' ' A' ' 28' ' ' TRP . 2.2 ttmm -108.98 141.67 40.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.611 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 22.8 p90 -160.62 143.63 13.21 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.59 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 29.0 p90 -159.7 171.13 20.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 108.032 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 84.6 p -104.43 152.85 21.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.964 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -146.45 166.96 24.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.4 ' ND1' ' N ' ' A' ' 31' ' ' HIS . 1.0 OUTLIER -67.5 -10.41 51.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.613 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -102.51 -28.18 12.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.313 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.11 -174.88 33.26 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.482 1.114 . . . . 0.0 111.019 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.1 m -85.23 113.37 21.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 110.399 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.59 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 13.6 mt -89.87 132.91 33.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.49 HG23 ' HB3' ' A' ' 27' ' ' TRP . 9.1 mt -127.96 124.19 62.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -128.87 114.24 16.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.334 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.474 ' CD ' ' O ' ' A' ' 60' ' ' ASN . 13.5 mtt85 -119.02 160.78 21.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.655 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -177.45 -177.07 46.04 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.525 1.141 . . . . 0.0 111.014 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.451 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 19.0 m -84.34 151.97 24.4 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.415 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 95.62 -166.98 25.5 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.529 1.143 . . . . 0.0 110.933 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 37.6 t -145.91 74.28 13.37 Favored Pre-proline 0 C--N 1.326 -0.431 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.573 ' O ' HD21 ' A' ' 51' ' ' LEU . 61.6 Cg_endo -69.86 178.28 4.79 Favored 'Trans proline' 0 C--N 1.325 -0.67 0 C-N-CA 124.169 3.246 . . . . 0.0 110.798 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.05 139.77 46.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.859 HG13 HD22 ' A' ' 51' ' ' LEU . 11.8 m -114.77 161.97 13.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.477 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 12.9 mtpp -86.72 170.28 12.78 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.477 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 51.8 Cg_exo -58.95 134.58 61.03 Favored 'Trans proline' 0 C--N 1.325 -0.675 0 C-N-CA 124.319 3.346 . . . . 0.0 109.877 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.28 -35.46 4.94 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.509 HG11 ' HD3' ' A' ' 26' ' ' LYS . 2.5 t -82.0 145.56 8.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.495 0.762 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.611 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 52.4 m-80 -99.78 141.48 32.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.859 HD22 HG13 ' A' ' 45' ' ' VAL . 36.0 tp -141.74 140.39 33.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.497 ' H ' HD12 ' A' ' 51' ' ' LEU . 12.2 t-20 -138.66 118.13 12.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 64.4 m -109.86 145.36 36.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 108.306 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 p -153.48 163.4 40.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 108.331 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.499 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 24.1 mtp180 -112.21 46.13 1.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.561 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -133.37 144.33 49.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 110.398 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.421 ' OD1' HD12 ' A' ' 1' ' ' LEU . 20.1 m-20 -61.26 140.41 57.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.427 ' O ' ' ND2' ' A' ' 61' ' ' ASN . 24.1 mtt180 40.98 38.06 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.561 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 19.2 p -86.17 -23.4 26.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 108.328 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.481 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 23.7 p-10 -95.44 48.7 1.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.431 ' OXT' ' CZ ' ' A' ' 38' ' ' ARG . 7.6 m-80 . . . . . 0 C--O 1.25 1.124 0 CA-C-O 116.971 -1.49 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.423 HD12 ' OD1' ' A' ' 57' ' ' ASP . 13.0 tp . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -111.49 146.09 37.88 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.49 1.119 . . . . 0.0 110.256 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 1.154 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 11.0 m -137.16 137.53 39.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 108.241 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.55 ' CD2' ' HB3' ' A' ' 61' ' ' ASN . 36.5 m-70 -62.21 136.36 57.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.609 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.44 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 4.8 p-10 -119.59 14.93 12.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.413 ' CD ' ' HA ' ' A' ' 12' ' ' PRO . 2.6 pt20 -75.0 142.11 43.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.459 ' O ' ' C ' ' A' ' 8' ' ' SER . 0.3 OUTLIER -106.7 160.16 15.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.11 . . . . 0.0 110.263 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.459 ' C ' ' O ' ' A' ' 7' ' ' GLN . 3.7 m 35.11 -135.21 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.017 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 10' ' ' GLN . 75.3 p -91.41 0.06 57.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.969 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.598 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 37.4 mm-40 -44.28 169.13 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 110.277 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.598 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 52.0 Cg_exo -58.93 128.8 29.23 Favored 'Trans proline' 0 C--N 1.325 -0.685 0 C-N-CA 124.35 3.367 . . . . 0.0 109.813 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.6 Cg_exo -58.85 124.59 16.07 Favored 'Trans proline' 0 C--N 1.325 -0.703 0 C-N-CA 124.377 3.384 . . . . 0.0 109.906 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.493 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.1 p -132.79 174.3 10.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 110.407 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.443 HG21 ' NE ' ' A' ' 58' ' ' ARG . 2.2 p -144.82 158.07 43.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.406 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.7 ttmt -148.09 148.98 31.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.9 m -77.53 128.85 34.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 110.367 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 1.154 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -82.2 122.24 27.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 108.347 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.5 p -102.53 116.49 32.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 110.001 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 78.39 -11.45 24.51 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.518 1.136 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.489 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 9.9 mt-10 -103.53 157.39 17.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 110.277 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.3 p -136.56 15.79 3.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.417 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.499 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 22.9 m-80 -135.15 154.87 51.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.48 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 50.9 m -117.09 137.63 52.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 108.293 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.663 ' HB2' HD11 ' A' ' 51' ' ' LEU . 12.9 p90 -117.39 150.77 38.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.443 ' HE2' ' CZ3' ' A' ' 27' ' ' TRP . 3.4 ttpm? -137.25 116.48 12.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.636 ' CE ' HG11 ' A' ' 49' ' ' VAL . 27.4 tttt -109.36 143.18 39.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.592 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 26.7 p90 -159.36 144.32 15.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 107.958 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.615 ' CH2' HG22 ' A' ' 35' ' ' ILE . 18.3 p90 -159.16 171.11 20.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 107.983 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.7 p -103.77 152.51 21.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 110.036 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -144.81 167.02 23.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -67.08 -10.55 51.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.636 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 57.2 mtp180 -102.44 -28.25 12.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.279 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 154.86 -175.12 33.02 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.501 1.126 . . . . 0.0 110.963 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.4 m -82.68 115.04 21.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 0.778 . . . . 0.0 110.377 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.615 HG22 ' CH2' ' A' ' 28' ' ' TRP . 14.6 mt -92.74 134.54 30.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.582 HG23 ' HB3' ' A' ' 27' ' ' TRP . 7.1 mt -129.5 127.11 64.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -130.23 114.44 15.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.278 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.414 ' HD3' ' O ' ' A' ' 60' ' ' ASN . 11.0 mtt85 -116.53 160.84 20.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.645 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -177.82 -178.85 47.66 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.531 1.144 . . . . 0.0 110.999 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.448 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 19.4 m -84.44 152.31 24.08 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.7 -165.63 24.69 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.535 1.147 . . . . 0.0 111.007 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 36.9 t -146.11 73.74 13.24 Favored Pre-proline 0 C--N 1.324 -0.506 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.622 ' O ' HD21 ' A' ' 51' ' ' LEU . 62.1 Cg_endo -69.78 -179.21 2.76 Favored 'Trans proline' 0 C--N 1.325 -0.682 0 C-N-CA 124.174 3.25 . . . . 0.0 110.862 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -114.96 140.74 48.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.788 HG13 HD22 ' A' ' 51' ' ' LEU . 18.9 m -113.78 163.76 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.468 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 2.0 mtmp? -85.25 169.53 15.9 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.468 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 52.0 Cg_exo -59.01 133.52 53.97 Favored 'Trans proline' 0 C--N 1.325 -0.665 0 C-N-CA 124.358 3.372 . . . . 0.0 109.846 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.14 -35.26 5.07 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.472 1.107 . . . . 0.0 111.046 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.636 HG11 ' CE ' ' A' ' 26' ' ' LYS . 3.9 t -79.61 149.11 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.592 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 55.1 m-80 -101.86 143.43 31.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.788 HD22 HG13 ' A' ' 45' ' ' VAL . 29.3 tp -145.37 139.73 27.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.529 ' H ' HD12 ' A' ' 51' ' ' LEU . 1.1 t30 -138.91 120.52 15.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 62.9 m -110.73 145.45 38.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 108.298 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 p -153.49 163.76 39.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 108.257 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.499 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 12.1 mtm-85 -112.08 46.05 1.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.142 . . . . 0.0 110.254 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.567 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -132.95 144.28 50.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 110.426 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.423 ' OD1' HD12 ' A' ' 1' ' ' LEU . 19.9 m-20 -61.34 140.2 58.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.443 ' NE ' HG21 ' A' ' 14' ' ' THR . 22.8 mtt180 41.38 37.92 0.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.567 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 18.0 p -86.67 -22.85 25.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 108.278 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.48 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 20.5 p-10 -95.44 48.62 1.16 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.55 ' HB3' ' CD2' ' A' ' 4' ' ' HIS . 23.2 p-10 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 116.984 -1.484 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.475 HD12 ' OD1' ' A' ' 57' ' ' ASP . 15.2 tp . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -106.6 145.48 31.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.271 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 1.195 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 11.4 m -137.88 137.21 37.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 108.279 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.479 ' HA ' ' O ' ' A' ' 13' ' ' THR . 36.6 m-70 -63.03 137.15 58.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.625 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.44 ' OD1' ' C ' ' A' ' 5' ' ' ASN . 5.0 p30 -120.05 11.28 11.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.408 ' CD ' ' HA ' ' A' ' 12' ' ' PRO . 2.6 pt20 -71.35 142.29 50.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.46 ' O ' ' C ' ' A' ' 8' ' ' SER . 2.0 pt20 -106.7 159.21 16.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.46 ' C ' ' O ' ' A' ' 7' ' ' GLN . 3.8 m 34.97 -135.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 10' ' ' GLN . 99.7 p -90.52 -0.79 57.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.971 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.595 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 36.8 mm-40 -44.26 169.1 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.266 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.595 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.7 Cg_exo -58.91 129.54 32.5 Favored 'Trans proline' 0 C--N 1.325 -0.685 0 C-N-CA 124.363 3.375 . . . . 0.0 109.846 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.7 Cg_exo -58.85 125.99 19.86 Favored 'Trans proline' 0 C--N 1.326 -0.655 0 C-N-CA 124.309 3.339 . . . . 0.0 109.892 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.479 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.1 p -132.66 174.21 10.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.385 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.456 HG21 ' NE ' ' A' ' 58' ' ' ARG . 2.3 p -145.01 157.23 44.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.409 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.07 148.8 30.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.7 m -77.94 132.37 37.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.334 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 1.195 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -85.72 122.17 29.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 108.277 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.6 t -102.24 116.39 32.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.033 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 78.62 -12.1 23.19 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.52 1.138 . . . . 0.0 110.988 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.474 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 11.8 mt-10 -103.56 156.61 17.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 0.749 . . . . 0.0 110.321 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.429 ' C ' ' CD2' ' A' ' 1' ' ' LEU . 4.4 p -135.58 15.74 3.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.408 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.484 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 24.9 m-80 -134.65 154.48 51.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.484 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 41.1 m -116.84 137.97 51.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 108.267 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.667 ' HB2' HD11 ' A' ' 51' ' ' LEU . 14.1 p90 -116.72 152.96 33.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 111.038 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.535 ' HE2' ' CE3' ' A' ' 27' ' ' TRP . 24.5 tttt -139.1 117.42 11.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.568 ' HD3' ' CZ3' ' A' ' 28' ' ' TRP . 2.5 ttmp? -108.96 141.65 40.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.118 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.581 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 27.5 p90 -158.66 144.94 17.02 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.62 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 29.2 p90 -161.43 171.08 18.81 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.5 t -103.25 152.66 21.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.034 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -145.44 166.99 24.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 18.5 t-160 -67.08 -11.16 56.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.585 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -102.48 -28.33 12.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.19 -174.96 33.31 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.2 m -83.1 115.19 21.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 0.751 . . . . 0.0 110.436 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.62 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 13.5 mt -91.3 134.33 30.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.572 HG23 ' HB3' ' A' ' 27' ' ' TRP . 6.6 mt -131.28 127.07 59.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.127 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -132.73 114.92 14.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.7 mtt85 -116.38 160.83 19.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.259 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.649 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -176.5 -177.16 45.26 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.538 1.149 . . . . 0.0 111.005 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.453 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 18.5 m -85.13 151.81 23.85 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.401 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 95.46 -166.8 25.62 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.504 1.127 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 36.3 t -145.19 73.68 14.4 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.621 ' O ' HD21 ' A' ' 51' ' ' LEU . 61.6 Cg_endo -69.84 -179.09 2.7 Favored 'Trans proline' 0 C--N 1.325 -0.677 0 C-N-CA 124.183 3.256 . . . . 0.0 110.849 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.8 pttp -114.45 141.06 48.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.768 HG13 HD22 ' A' ' 51' ' ' LEU . 16.7 m -113.61 162.56 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.47 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 22.2 mtmm -85.58 170.19 13.77 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.47 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 51.6 Cg_exo -58.9 133.4 53.44 Favored 'Trans proline' 0 C--N 1.325 -0.693 0 C-N-CA 124.332 3.355 . . . . 0.0 109.9 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.34 -35.22 5.11 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.478 1.111 . . . . 0.0 110.973 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.6 t -81.68 147.0 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 109.329 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.581 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 52.8 m-80 -100.7 144.69 29.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.355 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.768 HD22 HG13 ' A' ' 45' ' ' VAL . 36.8 tp -143.86 140.19 29.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.492 ' H ' HD12 ' A' ' 51' ' ' LEU . 6.3 t30 -138.73 119.51 14.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.45 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 63.7 m -110.63 144.68 39.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 108.296 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.2 p -152.57 164.7 37.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 108.321 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.484 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 23.7 mtp85 -111.73 46.06 1.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.554 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.2 p -134.86 143.57 47.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.384 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.475 ' OD1' HD12 ' A' ' 1' ' ' LEU . 0.9 OUTLIER -62.49 142.32 57.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.456 ' NE ' HG21 ' A' ' 14' ' ' THR . 13.1 mtt180 42.75 34.87 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.554 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 15.8 p -86.31 -22.83 26.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 108.303 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.484 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 22.5 p-10 -95.55 49.48 1.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.0 p30 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 116.983 -1.484 . . . . 0.0 109.275 -179.972 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.416 HD12 ' OD1' ' A' ' 57' ' ' ASP . 13.5 tp . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.433 ' N ' ' CD ' ' A' ' 2' ' ' GLU . 4.6 mp0 -109.93 146.2 35.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 1.181 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 10.0 m -137.36 137.25 38.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 108.322 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.49 ' HA ' ' O ' ' A' ' 13' ' ' THR . 36.7 m-70 -62.33 144.04 56.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.536 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.447 ' OD1' ' C ' ' A' ' 5' ' ' ASN . 4.2 p30 -127.1 9.13 6.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.407 ' CB ' ' HA ' ' A' ' 12' ' ' PRO . 2.0 pt20 -65.69 143.91 57.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 110.296 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.479 ' CG ' ' O ' ' A' ' 36' ' ' ILE . 24.8 tt0 -106.71 154.85 20.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.46 ' C ' ' O ' ' A' ' 7' ' ' GLN . 5.2 m 34.57 -133.71 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.566 1.166 . . . . 0.0 109.966 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 10' ' ' GLN . 38.8 m -89.18 -2.67 58.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.013 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.592 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 3.1 mm100 -44.15 169.23 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.592 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.8 Cg_exo -58.94 126.81 22.19 Favored 'Trans proline' 0 C--N 1.324 -0.723 0 C-N-CA 124.39 3.393 . . . . 0.0 109.841 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.6 Cg_exo -58.84 126.89 22.47 Favored 'Trans proline' 0 C--N 1.326 -0.656 0 C-N-CA 124.358 3.372 . . . . 0.0 109.842 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.49 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.1 p -132.62 175.01 9.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.375 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.429 HG21 ' NE ' ' A' ' 58' ' ' ARG . 2.1 p -144.71 156.91 44.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 110.431 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.0 ttpt -146.65 149.01 32.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.6 m -77.49 129.74 36.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.442 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 1.181 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -83.45 122.04 27.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 108.263 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.9 t -102.93 116.58 32.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.965 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.85 -10.66 24.37 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.538 1.149 . . . . 0.0 110.959 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.493 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 9.6 mt-10 -103.5 156.25 17.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 0.732 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.3 p -135.27 15.62 3.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.391 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.496 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 23.0 m-80 -135.47 155.09 51.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.338 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.476 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 52.9 m -117.67 138.05 52.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 108.293 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.723 ' HB2' HD11 ' A' ' 51' ' ' LEU . 13.7 p90 -116.71 149.69 39.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.575 ' HE3' ' CE3' ' A' ' 27' ' ' TRP . 26.0 tttp -134.08 117.42 16.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.577 ' HD2' ' CZ3' ' A' ' 28' ' ' TRP . 2.3 ttmm -108.6 142.04 39.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.607 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 22.5 p90 -160.84 144.05 13.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 108.02 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.613 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 26.5 p90 -160.62 171.01 19.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 108.018 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.2 t -103.54 152.64 21.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.992 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.403 ' OD1' ' CD1' ' A' ' 28' ' ' TRP . 0.8 OUTLIER -145.79 167.05 24.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -67.27 -10.79 54.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.56 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 54.8 mmm-85 -102.47 -28.23 12.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.31 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 154.9 -174.95 33.1 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.2 m -83.47 114.13 21.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 0.76 . . . . 0.0 110.406 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.613 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 14.8 mt -90.86 134.12 30.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.488 HG23 ' HB3' ' A' ' 27' ' ' TRP . 8.6 mt -128.88 126.9 65.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -130.78 114.53 15.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.32 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.489 ' CZ ' ' OXT' ' A' ' 61' ' ' ASN . 12.6 mtt85 -116.26 160.71 20.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.331 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.663 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -177.07 -179.26 47.36 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.468 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 19.0 m -85.02 151.52 24.11 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.409 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 95.33 -167.21 26.04 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.453 1.096 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 36.1 t -144.57 73.89 15.35 Favored Pre-proline 0 C--N 1.325 -0.467 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.552 ' O ' HD21 ' A' ' 51' ' ' LEU . 62.2 Cg_endo -69.78 179.97 3.34 Favored 'Trans proline' 0 C--N 1.325 -0.7 0 C-N-CA 124.204 3.269 . . . . 0.0 110.83 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.405 ' HB2' ' NZ ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -112.39 140.29 47.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.834 HG13 HD22 ' A' ' 51' ' ' LEU . 12.3 m -114.48 162.05 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.472 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 19.6 mtmm -86.54 170.13 13.29 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.081 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.472 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 51.8 Cg_exo -58.91 134.53 60.8 Favored 'Trans proline' 0 C--N 1.326 -0.657 0 C-N-CA 124.326 3.351 . . . . 0.0 109.89 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.13 -35.31 5.04 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.434 1.084 . . . . 0.0 111.046 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.539 HG11 ' HD3' ' A' ' 26' ' ' LYS . 2.5 t -82.38 145.76 8.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.45 0.735 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.607 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 51.8 m-80 -100.31 142.46 31.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.834 HD22 HG13 ' A' ' 45' ' ' VAL . 43.1 tp -142.06 140.61 32.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.446 ' H ' HD12 ' A' ' 51' ' ' LEU . 2.0 t-20 -138.69 118.04 12.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 62.9 m -108.98 144.74 36.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 108.321 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 p -153.7 163.94 39.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 108.31 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.496 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 14.8 mtm-85 -111.86 45.9 1.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.566 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -132.68 144.22 50.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 0.0 110.386 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.416 ' OD1' HD12 ' A' ' 1' ' ' LEU . 20.6 m-20 -61.22 140.16 57.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.429 ' NE ' HG21 ' A' ' 14' ' ' THR . 13.8 mtt180 41.39 38.19 0.78 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.566 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 17.8 p -86.95 -22.58 25.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 108.284 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.476 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 20.6 p-10 -95.41 48.65 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.489 ' OXT' ' CZ ' ' A' ' 38' ' ' ARG . 20.2 p-10 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 117.005 -1.474 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.437 HD12 ' OD1' ' A' ' 57' ' ' ASP . 15.1 tp . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -109.03 145.31 35.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 1.124 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 9.3 m -136.75 136.87 39.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 108.302 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.572 ' CD2' ' HB2' ' A' ' 61' ' ' ASN . 31.4 m-70 -61.9 150.01 38.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.564 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.445 ' O ' ' OD1' ' A' ' 5' ' ' ASN . 7.7 p30 -135.31 16.91 3.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.423 ' HB3' ' HA ' ' A' ' 12' ' ' PRO . 1.2 pt20 -63.18 142.12 58.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.554 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 0.1 OUTLIER -107.75 132.98 52.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.117 . . . . 0.0 110.297 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.6 m 47.77 -135.18 1.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.6 m -88.03 8.88 24.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.022 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.65 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 8.8 mm100 -58.98 170.14 0.94 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.65 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.8 Cg_exo -58.89 127.68 25.24 Favored 'Trans proline' 0 C--N 1.325 -0.692 0 C-N-CA 124.351 3.368 . . . . 0.0 109.889 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.8 Cg_exo -58.92 125.37 18.0 Favored 'Trans proline' 0 C--N 1.325 -0.683 0 C-N-CA 124.326 3.351 . . . . 0.0 109.844 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.468 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.0 p -131.08 174.26 10.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.413 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -143.49 156.79 44.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.42 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -145.44 149.01 33.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.7 m -77.37 133.72 38.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.4 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 1.124 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.8 m -87.34 121.86 30.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 108.34 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.7 t -103.17 116.4 32.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.967 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.06 -9.63 24.42 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.455 1.097 . . . . 0.0 110.972 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.496 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 15.2 mt-10 -103.65 157.47 17.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 0.778 . . . . 0.0 110.277 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.5 p -136.55 15.51 3.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 110.38 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.498 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 23.7 m-80 -134.73 155.24 50.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.485 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 57.5 m -117.55 138.66 51.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 108.354 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.701 ' HB2' HD11 ' A' ' 51' ' ' LEU . 12.6 p90 -117.97 149.67 40.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.575 ' HE3' ' CZ3' ' A' ' 27' ' ' TRP . 15.1 ttpt -134.85 117.95 16.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.55 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 2.3 ttmp? -109.11 142.27 40.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.595 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 23.3 p90 -159.99 145.15 15.13 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.629 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 37.0 p90 -161.11 170.88 19.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 107.991 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.3 t -104.98 152.67 22.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.99 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.482 ' OD1' ' CD1' ' A' ' 28' ' ' TRP . 0.8 OUTLIER -146.17 167.0 24.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -67.33 -10.41 50.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.636 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -102.46 -28.37 12.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.3 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 154.87 -174.94 33.08 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.9 m -84.8 116.57 23.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 0.734 . . . . 0.0 110.366 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.629 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 13.5 mt -92.61 135.84 26.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.516 HG21 ' NH2' ' A' ' 38' ' ' ARG . 8.0 mt -129.84 123.83 57.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -127.82 114.56 17.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.516 ' NH2' HG21 ' A' ' 36' ' ' ILE . 37.7 mtt-85 -118.05 160.95 20.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.673 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -177.31 -179.31 47.54 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.535 1.147 . . . . 0.0 111.026 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.414 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 18.7 m -84.13 151.1 25.1 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.26 -166.39 25.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.11 . . . . 0.0 110.973 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 36.8 t -144.24 73.79 15.96 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.615 ' O ' HD21 ' A' ' 51' ' ' LEU . 61.5 Cg_endo -69.82 -179.35 2.88 Favored 'Trans proline' 0 C--N 1.326 -0.658 0 C-N-CA 124.219 3.279 . . . . 0.0 110.838 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.1 tttp -114.24 140.8 48.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.356 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.814 HG13 HD22 ' A' ' 51' ' ' LEU . 16.7 m -114.03 162.99 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.467 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 13.2 mtmt -85.82 169.92 14.34 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.467 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 51.7 Cg_exo -58.89 134.02 57.5 Favored 'Trans proline' 0 C--N 1.325 -0.707 0 C-N-CA 124.402 3.401 . . . . 0.0 109.838 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.27 -35.3 5.05 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.577 1.173 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.446 HG13 ' CE3' ' A' ' 28' ' ' TRP . 2.5 t -82.16 145.85 8.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 0.792 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.595 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 51.6 m-80 -99.66 143.92 29.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.814 HD22 HG13 ' A' ' 45' ' ' VAL . 39.2 tp -144.32 139.72 28.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.456 ' H ' HD12 ' A' ' 51' ' ' LEU . 26.8 t-20 -138.69 120.93 15.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 60.7 m -109.79 145.72 36.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 108.337 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 p -153.79 163.4 40.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 108.328 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.498 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 44.5 mtm180 -112.02 46.04 1.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.564 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -132.92 144.18 49.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.163 . . . . 0.0 110.408 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.437 ' OD1' HD12 ' A' ' 1' ' ' LEU . 19.3 m-20 -61.38 140.03 58.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.9 mtt85 41.43 38.25 0.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.332 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.564 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 18.8 p -86.59 -21.36 26.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.163 . . . . 0.0 108.268 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.485 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 24.7 p-10 -94.71 44.8 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.572 ' HB2' ' CD2' ' A' ' 4' ' ' HIS . 10.1 t-20 . . . . . 0 C--O 1.25 1.127 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.248 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.434 HD12 ' OD1' ' A' ' 57' ' ' ASP . 13.3 tp . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -108.8 145.17 35.64 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 1.139 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 11.7 m -137.69 137.29 38.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 108.268 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.516 ' HA ' ' O ' ' A' ' 13' ' ' THR . 38.7 m-70 -62.64 135.39 57.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.642 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.428 ' OD1' ' C ' ' A' ' 5' ' ' ASN . 6.2 p30 -116.24 13.72 15.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.468 ' O ' ' NH1' ' A' ' 38' ' ' ARG . 3.2 pt20 -74.92 131.96 41.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.446 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -108.5 154.38 22.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.316 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.7 m 54.54 -133.26 1.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.02 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.407 ' O ' ' O ' ' A' ' 10' ' ' GLN . 3.5 m -102.76 -2.07 28.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.003 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.627 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 38.0 mm-40 -44.61 169.6 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.627 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.7 Cg_exo -58.88 135.52 67.39 Favored 'Trans proline' 0 C--N 1.325 -0.683 0 C-N-CA 124.364 3.376 . . . . 0.0 109.855 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.499 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.8 Cg_exo -58.91 127.15 23.29 Favored 'Trans proline' 0 C--N 1.325 -0.703 0 C-N-CA 124.342 3.362 . . . . 0.0 109.87 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.516 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.0 p -132.59 173.42 11.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.41 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 p -145.39 158.23 43.87 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.547 1.154 . . . . 0.0 110.462 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.0 tptt -149.54 148.5 29.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.4 m -77.98 128.76 34.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.399 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 1.139 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -81.97 122.09 27.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 108.283 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 34.1 p -102.78 116.52 32.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 109.932 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.32 -10.31 22.6 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.508 1.13 . . . . 0.0 111.058 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.493 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 15.3 mt-10 -103.7 159.18 15.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 0.743 . . . . 0.0 110.278 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.0 p -138.33 15.68 2.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.381 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.501 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 23.0 m-80 -134.81 155.68 50.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.473 ' O ' ' HA ' ' A' ' 53' ' ' CYS . 43.4 m -117.39 136.55 53.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 108.292 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.652 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 13.9 p90 -116.07 153.48 31.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.428 1.08 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.491 ' HG3' ' CD ' ' A' ' 38' ' ' ARG . 0.1 OUTLIER -140.88 117.5 10.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.596 ' HG2' HD13 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -109.35 143.53 38.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.24 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.586 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 25.0 p90 -160.28 144.58 14.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 108.024 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.62 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 30.0 p90 -159.62 170.58 21.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 108.021 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 61.1 m -105.14 151.74 23.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.965 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -145.61 166.5 25.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 21.1 t-160 -67.57 -9.88 46.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.585 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -102.58 -28.33 12.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 154.85 -174.9 33.07 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.8 m -86.13 116.03 24.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 0.763 . . . . 0.0 110.375 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.62 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 17.1 mt -93.08 134.86 29.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.543 HG23 ' HB3' ' A' ' 27' ' ' TRP . 6.1 mt -129.92 127.84 64.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -131.3 113.31 13.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.326 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.491 ' CD ' ' HG3' ' A' ' 25' ' ' LYS . 20.2 mtt85 -118.02 160.32 21.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.652 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -178.12 -175.92 45.66 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.476 1.11 . . . . 0.0 111.025 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.417 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 19.8 m -85.25 151.91 23.71 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.405 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 95.64 -166.68 25.32 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 38.1 t -146.12 74.47 13.08 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.602 ' O ' HD21 ' A' ' 51' ' ' LEU . 61.4 Cg_endo -69.88 -179.48 3.0 Favored 'Trans proline' 0 C--N 1.326 -0.655 0 C-N-CA 124.181 3.254 . . . . 0.0 110.809 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.8 mtpp -113.77 140.39 48.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.852 HG13 HD22 ' A' ' 51' ' ' LEU . 13.8 m -113.92 162.17 12.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.473 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 13.5 mtpt -85.95 170.05 13.92 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.473 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 52.0 Cg_exo -58.91 133.95 56.99 Favored 'Trans proline' 0 C--N 1.325 -0.664 0 C-N-CA 124.34 3.36 . . . . 0.0 109.861 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.17 -35.37 4.99 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.547 1.154 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.6 t -81.54 147.05 6.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.481 0.754 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.586 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 53.0 m-80 -100.74 143.75 30.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.852 HD22 HG13 ' A' ' 45' ' ' VAL . 24.1 tp -144.27 140.23 29.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.582 ' H ' HD12 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -138.96 121.16 15.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.473 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 62.8 m -111.7 145.08 39.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 108.264 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.5 p -151.98 162.98 40.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 108.289 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.501 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 52.6 mtm180 -112.41 46.25 1.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.272 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.557 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -133.37 144.44 49.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.37 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.434 ' OD1' HD12 ' A' ' 1' ' ' LEU . 19.5 m-20 -61.24 140.01 58.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.33 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.434 ' O ' ' ND2' ' A' ' 61' ' ' ASN . 19.8 mtt85 41.02 38.57 0.71 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.321 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.557 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 20.2 p -86.11 -23.43 26.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 108.301 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.473 ' O ' ' CD ' ' A' ' 38' ' ' ARG . 25.7 p-10 -95.45 48.55 1.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.457 ' O ' ' CZ ' ' A' ' 38' ' ' ARG . 15.4 m-80 . . . . . 0 C--O 1.25 1.094 0 CA-C-O 116.966 -1.493 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.416 HD12 ' OD1' ' A' ' 57' ' ' ASP . 12.7 tp . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -112.54 145.77 39.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 1.036 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 16.3 m -137.24 137.32 38.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 108.297 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.519 ' HA ' ' O ' ' A' ' 13' ' ' THR . 32.7 m-70 -60.45 141.9 55.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.575 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.438 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 4.0 p-10 -124.98 15.12 8.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -73.8 144.46 45.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.506 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 30.6 tt0 -106.66 149.4 27.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 7' ' ' GLN . 3.2 m 38.53 -136.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.991 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 61.3 m -86.47 9.44 18.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.975 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.615 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 28.0 mm-40 -53.82 169.53 0.34 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 110.323 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.615 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.6 Cg_exo -58.91 127.08 23.04 Favored 'Trans proline' 0 C--N 1.325 -0.698 0 C-N-CA 124.298 3.332 . . . . 0.0 109.926 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.507 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.9 Cg_exo -58.88 120.57 8.52 Favored 'Trans proline' 0 C--N 1.325 -0.685 0 C-N-CA 124.325 3.35 . . . . 0.0 109.877 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.519 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.1 p -131.53 174.81 9.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.4 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.451 HG21 ' NE ' ' A' ' 58' ' ' ARG . 2.1 p -145.24 157.94 43.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.383 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 56.0 tttt -147.27 149.18 32.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.8 m -77.34 129.8 36.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.419 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 1.036 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -82.36 122.22 27.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 108.334 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.0 p -102.54 116.2 32.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 109.969 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.89 -10.7 24.48 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.499 1.125 . . . . 0.0 111.043 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.495 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 6.7 mt-10 -103.58 160.52 14.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 0.759 . . . . 0.0 110.281 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.7 p -139.72 15.65 2.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.368 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.502 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 23.1 m-80 -135.11 155.9 49.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.492 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 33.7 m -117.17 136.81 52.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 108.304 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.59 ' HB2' HD11 ' A' ' 51' ' ' LEU . 12.4 p90 -117.25 152.25 35.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 111.028 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.426 ' NZ ' ' HB3' ' A' ' 25' ' ' LYS . 3.8 ttpm? -143.97 115.9 8.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.587 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -110.15 143.22 40.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.625 ' HB3' HG23 ' A' ' 36' ' ' ILE . 35.0 p90 -154.32 147.4 24.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 108.006 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.61 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 28.4 p90 -159.32 169.68 23.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 108.022 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.7 p -105.42 137.99 42.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.002 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.534 ' OD1' ' CD1' ' A' ' 28' ' ' TRP . 0.9 OUTLIER -129.34 165.5 21.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 -66.25 -10.64 44.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.585 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 62.4 mtm180 -102.38 -28.32 12.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.143 . . . . 0.0 110.279 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 154.64 176.2 26.64 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.539 1.149 . . . . 0.0 110.946 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.1 m -75.7 116.48 16.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 0.768 . . . . 0.0 110.444 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.61 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 17.8 mt -93.81 136.91 24.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.625 HG23 ' HB3' ' A' ' 27' ' ' TRP . 5.4 mt -134.95 129.2 50.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.482 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 7.8 tt0 -130.22 116.31 18.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.479 ' CZ ' ' O ' ' A' ' 61' ' ' ASN . 29.2 mtt-85 -113.4 152.68 29.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.579 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -172.77 -179.35 43.47 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.518 1.136 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.401 ' C ' ' OE1' ' A' ' 20' ' ' GLU . 22.3 m -86.22 153.31 22.11 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.41 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 96.17 -165.62 24.12 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.571 1.169 . . . . 0.0 111.02 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 38.0 t -148.0 73.88 11.13 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.57 ' HD2' ' CB ' ' A' ' 24' ' ' TYR . 61.6 Cg_endo -69.82 -178.93 2.6 Favored 'Trans proline' 0 C--N 1.325 -0.69 0 C-N-CA 124.16 3.24 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.0 tmtt? -114.89 140.86 48.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.25 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.785 HG13 HD22 ' A' ' 51' ' ' LEU . 18.0 m -113.76 163.47 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.466 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 24.4 mttt -85.35 169.31 16.45 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.252 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.466 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 51.7 Cg_exo -58.89 133.79 55.98 Favored 'Trans proline' 0 C--N 1.325 -0.671 0 C-N-CA 124.355 3.37 . . . . 0.0 109.885 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.12 -35.24 5.08 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.506 1.129 . . . . 0.0 110.997 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.8 t -81.6 146.05 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.537 0.786 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.587 ' O ' ' HA ' ' A' ' 26' ' ' LYS . 60.1 m-80 -98.61 147.25 25.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.785 HD22 HG13 ' A' ' 45' ' ' VAL . 34.5 tp -147.83 140.82 24.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.24 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.518 ' H ' HD12 ' A' ' 51' ' ' LEU . 1.3 t30 -138.99 122.81 17.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.48 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 68.7 m -113.39 142.64 45.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 108.275 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.5 p -150.71 163.14 39.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 108.275 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.502 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 38.5 mtm180 -111.95 45.66 1.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.565 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -132.03 144.17 50.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.132 . . . . 0.0 110.397 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.416 ' OD1' HD12 ' A' ' 1' ' ' LEU . 19.7 m-20 -61.39 140.12 58.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.451 ' NE ' HG21 ' A' ' 14' ' ' THR . 15.5 mtt180 41.62 38.0 0.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.565 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 17.7 p -86.91 -22.98 25.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 108.296 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.492 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 24.7 p-10 -95.29 47.78 1.14 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.479 ' O ' ' CZ ' ' A' ' 38' ' ' ARG . 1.8 m120 . . . . . 0 C--O 1.25 1.084 0 CA-C-O 116.979 -1.486 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.432 HD12 ' OD1' ' A' ' 57' ' ' ASP . 13.0 tp . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -108.18 145.65 33.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 1.121 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 12.6 m -137.27 137.33 38.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 108.306 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.618 ' CD2' ' CB ' ' A' ' 61' ' ' ASN . 31.2 m-70 -63.23 134.9 56.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.564 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.436 ' OD1' ' C ' ' A' ' 5' ' ' ASN . 5.4 p30 -116.91 11.57 14.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.504 ' OE1' ' CZ ' ' A' ' 38' ' ' ARG . 0.2 OUTLIER -64.62 141.63 58.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.262 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.436 ' O ' ' HG2' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -106.62 156.88 18.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.248 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 7' ' ' GLN . 14.6 m 36.62 -128.67 0.14 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.004 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.9 p -97.22 1.22 49.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.99 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.597 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 36.9 mm-40 -44.42 168.26 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.256 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.597 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.8 Cg_exo -58.9 143.38 99.48 Favored 'Trans proline' 0 C--N 1.326 -0.63 0 C-N-CA 124.328 3.352 . . . . 0.0 109.865 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.7 Cg_exo -58.87 124.15 15.08 Favored 'Trans proline' 0 C--N 1.326 -0.648 0 C-N-CA 124.359 3.373 . . . . 0.0 109.881 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.533 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 1.9 p -131.1 169.33 16.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 110.404 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -146.17 158.31 43.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.368 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.43 ' HE3' ' CB ' ' A' ' 5' ' ' ASN . 8.8 ptpt -149.94 148.25 28.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.2 m -78.01 133.33 38.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 110.436 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 1.121 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.8 m -88.14 121.84 31.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 108.306 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.2 p -102.9 116.56 32.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.005 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.65 -10.13 25.85 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.502 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 7.0 mt-10 -103.52 160.16 14.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 0.762 . . . . 0.0 110.255 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.1 p -139.39 15.88 2.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.437 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.503 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 22.5 m-80 -134.72 154.94 51.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.346 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.487 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 53.0 m -117.03 137.17 52.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 108.323 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.662 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 12.2 p90 -117.2 153.31 33.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.472 ' HG2' ' CE3' ' A' ' 27' ' ' TRP . 13.3 ttpp -139.72 117.49 11.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.579 ' HG2' HD13 ' A' ' 51' ' ' LEU . 10.3 mtmt -109.41 140.9 42.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.581 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 28.1 p90 -158.61 144.45 16.76 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.578 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 36.5 p90 -161.39 170.97 19.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 108.017 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.1 p -103.18 153.29 20.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.975 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -146.64 166.78 25.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 42.2 m170 -67.22 -11.3 57.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.573 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.5 mmt-85 -102.58 -28.21 12.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.276 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.85 -174.88 33.79 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.5 m -84.9 112.87 20.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 0.787 . . . . 0.0 110.389 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.578 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 12.0 mt -88.48 131.49 35.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.58 HG23 ' HB3' ' A' ' 27' ' ' TRP . 8.6 mt -128.62 121.35 54.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -128.0 114.95 17.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.271 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.504 ' CZ ' ' OE1' ' A' ' 6' ' ' GLN . 11.8 mtt180 -121.79 160.65 24.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.313 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.662 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -175.89 -173.93 42.0 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.2 m -84.0 151.45 25.0 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.401 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 95.78 -166.04 24.81 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.528 1.142 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 37.3 t -145.95 74.03 13.38 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.642 ' O ' HD21 ' A' ' 51' ' ' LEU . 61.5 Cg_endo -69.8 -179.52 2.99 Favored 'Trans proline' 0 C--N 1.325 -0.706 0 C-N-CA 124.225 3.283 . . . . 0.0 110.812 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -115.06 140.41 49.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.343 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.806 HG13 HD22 ' A' ' 51' ' ' LEU . 18.1 m -113.82 163.39 11.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.103 . . . . 0.0 109.335 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.474 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 3.5 mtmt -85.49 169.99 14.39 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.474 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 51.7 Cg_exo -58.85 133.77 55.96 Favored 'Trans proline' 0 C--N 1.325 -0.662 0 C-N-CA 124.346 3.364 . . . . 0.0 109.898 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.29 -35.13 5.17 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.535 1.147 . . . . 0.0 111.038 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.493 HG13 ' CE3' ' A' ' 28' ' ' TRP . 2.6 t -81.36 145.98 8.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.523 0.778 . . . . 0.0 109.336 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.581 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 52.5 m-80 -98.79 143.83 28.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.806 HD22 HG13 ' A' ' 45' ' ' VAL . 21.1 tp -144.43 138.96 28.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.565 ' H ' HD12 ' A' ' 51' ' ' LEU . 15.9 t-20 -138.39 120.78 15.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.48 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 65.0 m -111.56 145.48 39.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 108.305 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 p -152.86 163.19 40.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 108.345 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.503 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 14.1 mtm-85 -112.18 46.1 1.2 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.427 1.079 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.554 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -133.45 144.26 49.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.401 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.432 ' OD1' HD12 ' A' ' 1' ' ' LEU . 19.9 m-20 -61.47 140.21 58.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 29.2 mtt85 41.25 38.59 0.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.554 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 19.9 p -86.38 -23.93 25.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 108.32 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.487 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 25.6 p-10 -94.31 42.97 1.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.618 ' CB ' ' CD2' ' A' ' 4' ' ' HIS . 1.6 p-10 . . . . . 0 C--O 1.251 1.132 0 CA-C-O 116.997 -1.478 . . . . 0.0 109.355 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.429 HD12 ' OD1' ' A' ' 57' ' ' ASP . 12.6 tp . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -108.12 145.03 34.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 1.087 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 16.0 m -137.16 136.94 38.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 108.299 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.631 ' CD2' ' CB ' ' A' ' 61' ' ' ASN . 30.7 m-70 -62.47 143.49 57.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.617 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.448 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 3.7 p-10 -126.4 16.27 7.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.461 ' OE1' ' NH1' ' A' ' 38' ' ' ARG . 2.6 pt20 -64.5 134.44 54.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.303 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.49 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 25.5 mm-40 -106.56 142.36 36.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.323 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.3 m 47.35 -135.48 0.97 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 110.035 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 m -94.86 20.41 8.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.998 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.639 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 33.5 mt-30 -68.15 169.74 9.33 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 110.324 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.639 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.9 Cg_exo -58.82 131.42 41.9 Favored 'Trans proline' 0 C--N 1.325 -0.702 0 C-N-CA 124.401 3.401 . . . . 0.0 109.872 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.7 Cg_exo -58.89 123.61 13.89 Favored 'Trans proline' 0 C--N 1.325 -0.696 0 C-N-CA 124.356 3.37 . . . . 0.0 109.876 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.477 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.1 p -131.82 174.53 10.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 110.396 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -143.09 157.69 44.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.401 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -147.67 149.41 32.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.6 m -77.08 136.44 38.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.163 . . . . 0.0 110.397 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 1.087 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 4.0 m -91.14 121.99 33.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 108.298 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.7 t -102.95 116.27 32.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.992 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 78.4 -11.03 26.31 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.139 . . . . 0.0 110.978 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.493 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 8.6 mt-10 -103.42 159.38 15.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 0.767 . . . . 0.0 110.263 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.1 p -139.15 15.97 2.62 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.502 1.126 . . . . 0.0 110.383 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.503 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 21.5 m-80 -134.76 154.87 51.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.486 ' O ' ' HA ' ' A' ' 53' ' ' CYS . 38.7 m -117.02 136.44 52.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 108.306 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.69 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 13.4 p90 -115.53 152.1 33.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.574 1.171 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.544 ' HG2' ' CE3' ' A' ' 27' ' ' TRP . 25.9 ttpt -136.66 116.57 13.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.65 ' HG3' HG11 ' A' ' 45' ' ' VAL . 2.1 ttmm -109.66 140.57 43.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.605 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 25.5 p90 -160.45 143.15 13.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 107.985 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.593 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 37.5 p90 -158.74 170.78 21.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 108.012 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.0 t -105.09 154.18 20.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.994 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -147.96 166.44 27.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -67.38 -10.78 54.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.594 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? -102.51 -28.16 12.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 156.14 -174.85 34.0 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.1 m -88.14 114.16 24.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 0.787 . . . . 0.0 110.41 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.593 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 17.5 mt -89.57 134.14 29.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.504 HG23 ' HB3' ' A' ' 27' ' ' TRP . 7.7 mt -128.09 121.32 55.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.403 ' O ' ' HB3' ' A' ' 26' ' ' LYS . 20.9 tt0 -129.09 113.58 15.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.267 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.528 ' NE ' ' CD ' ' A' ' 25' ' ' LYS . 61.3 mtt180 -126.84 160.36 31.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.69 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -174.76 -169.3 36.56 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.464 1.103 . . . . 0.0 110.966 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 22.7 m -84.4 150.8 25.09 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.74 -167.37 25.62 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.522 1.139 . . . . 0.0 111.049 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 37.2 t -145.81 75.19 13.27 Favored Pre-proline 0 C--N 1.325 -0.5 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.589 ' O ' HD21 ' A' ' 51' ' ' LEU . 61.5 Cg_endo -69.86 179.76 3.53 Favored 'Trans proline' 0 C--N 1.326 -0.651 0 C-N-CA 124.182 3.255 . . . . 0.0 110.808 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -114.85 139.06 50.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.703 HG13 HD22 ' A' ' 51' ' ' LEU . 18.5 m -114.72 164.0 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.486 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 20.3 mtmt -86.45 170.68 11.88 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.486 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 51.9 Cg_exo -58.94 134.61 61.2 Favored 'Trans proline' 0 C--N 1.324 -0.72 0 C-N-CA 124.379 3.386 . . . . 0.0 109.855 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.48 -35.35 5.03 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.5 t -80.81 144.82 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 0.764 . . . . 0.0 109.287 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.605 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 52.5 m-80 -98.63 139.18 34.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.703 HD22 HG13 ' A' ' 45' ' ' VAL . 22.2 tp -139.76 139.88 36.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.58 ' H ' HD12 ' A' ' 51' ' ' LEU . 5.0 t30 -138.72 117.61 12.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.486 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 70.0 m -110.32 145.06 38.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 108.305 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 p -153.04 163.36 39.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 108.27 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.503 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 40.6 mtt180 -112.35 46.18 1.2 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 110.331 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.552 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -133.7 144.27 49.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.415 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.429 ' OD1' HD12 ' A' ' 1' ' ' LEU . 19.9 m-20 -61.37 140.05 58.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.272 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 41.18 38.91 0.82 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.552 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 20.4 p -86.48 -24.53 25.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 108.255 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.482 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 25.2 p-10 -94.37 43.23 1.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.128 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.631 ' CB ' ' CD2' ' A' ' 4' ' ' HIS . 2.3 p30 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 117.021 -1.466 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.421 HD12 ' OD1' ' A' ' 57' ' ' ASP . 12.5 tp . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -110.45 145.3 37.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.306 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 1.096 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 13.4 m -137.51 137.35 38.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 108.27 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.514 ' HA ' ' O ' ' A' ' 13' ' ' THR . 35.6 m-70 -61.82 136.56 58.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.621 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.435 ' OD1' ' C ' ' A' ' 5' ' ' ASN . 5.4 p30 -118.11 11.71 13.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 0.0 109.244 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.415 ' HG3' ' HD2' ' A' ' 38' ' ' ARG . 2.9 pt20 -72.49 142.6 48.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.578 1.174 . . . . 0.0 110.315 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.465 ' O ' ' C ' ' A' ' 8' ' ' SER . 2.4 pt20 -106.72 160.12 15.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.465 ' C ' ' O ' ' A' ' 7' ' ' GLN . 3.7 m 34.58 -135.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.989 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 10' ' ' GLN . 3.2 m -90.48 0.03 57.48 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.494 1.121 . . . . 0.0 109.991 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.6 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 38.6 mm-40 -44.26 169.2 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.6 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.6 Cg_exo -58.93 130.72 37.96 Favored 'Trans proline' 0 C--N 1.325 -0.68 0 C-N-CA 124.314 3.343 . . . . 0.0 109.89 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.484 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.9 Cg_exo -58.87 124.8 16.51 Favored 'Trans proline' 0 C--N 1.325 -0.677 0 C-N-CA 124.337 3.358 . . . . 0.0 109.867 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.514 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.0 p -132.79 174.09 10.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.414 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 p -145.31 158.37 43.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.4 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -149.3 148.64 29.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.4 m -77.9 129.16 35.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.391 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 1.096 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 4.0 m -81.03 122.04 26.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 108.287 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.51 116.12 31.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.974 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.43 -10.58 21.91 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.492 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 15.3 mt-10 -103.57 162.07 13.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 0.786 . . . . 0.0 110.328 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.8 p -140.95 15.58 2.28 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.488 1.117 . . . . 0.0 110.379 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.507 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 21.8 m-80 -135.06 156.25 49.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.487 ' O ' ' HA ' ' A' ' 53' ' ' CYS . 36.4 m -117.01 136.61 52.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.163 . . . . 0.0 108.337 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.59 ' HB2' HD11 ' A' ' 51' ' ' LEU . 12.6 p90 -117.13 151.53 36.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.975 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.407 ' HB3' ' NZ ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -142.37 114.99 8.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.603 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 2.2 pttm -110.31 141.56 43.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.679 ' HB3' HG23 ' A' ' 36' ' ' ILE . 36.4 p90 -153.41 147.33 25.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 108.044 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.61 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 26.9 p90 -159.12 169.49 24.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 107.963 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.8 t -105.41 137.51 43.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -128.6 165.84 20.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 109.342 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 27.6 p-80 -66.53 -10.49 45.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.609 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.2 ttm180 -102.34 -28.36 12.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.558 1.161 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 154.67 176.17 26.63 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.7 m -75.06 116.45 15.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 0.742 . . . . 0.0 110.389 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.61 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 17.0 mt -94.72 134.26 32.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.679 HG23 ' HB3' ' A' ' 27' ' ' TRP . 5.8 mt -133.21 128.98 56.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.469 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 79.5 mm-40 -130.08 115.68 17.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.415 ' HD2' ' HG3' ' A' ' 6' ' ' GLN . 23.6 mtt85 -113.3 152.18 30.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.575 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -172.27 -179.19 42.98 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.524 1.14 . . . . 0.0 111.008 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.44 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 21.6 m -85.34 153.39 22.58 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.41 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 96.25 -166.13 24.27 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.483 1.115 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.401 ' HA ' ' HB3' ' A' ' 24' ' ' TYR . 39.0 t -147.96 74.07 11.14 Favored Pre-proline 0 C--N 1.326 -0.451 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.568 ' HD2' ' CB ' ' A' ' 24' ' ' TYR . 61.6 Cg_endo -69.83 -179.19 2.77 Favored 'Trans proline' 0 C--N 1.325 -0.672 0 C-N-CA 124.199 3.266 . . . . 0.0 110.851 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.3 mptt -114.59 140.45 48.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.787 HG13 HD22 ' A' ' 51' ' ' LEU . 17.7 m -113.75 163.45 10.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.471 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 8.6 mtpp -85.47 169.47 15.9 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.471 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 51.7 Cg_exo -58.89 133.72 55.56 Favored 'Trans proline' 0 C--N 1.325 -0.707 0 C-N-CA 124.377 3.384 . . . . 0.0 109.932 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.19 -35.26 5.07 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.8 t -81.19 145.6 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.46 0.741 . . . . 0.0 109.283 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.603 ' O ' ' HA ' ' A' ' 26' ' ' LYS . 61.1 m-80 -98.14 146.44 25.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.787 HD22 HG13 ' A' ' 45' ' ' VAL . 31.2 tp -147.21 140.31 25.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.532 ' H ' HD12 ' A' ' 51' ' ' LEU . 10.7 t30 -138.68 121.75 16.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.347 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.487 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 75.9 m -113.06 143.16 44.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 108.299 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.5 p -150.85 163.26 39.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 108.328 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.507 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 15.5 mtm-85 -112.27 45.92 1.23 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.56 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -133.0 144.34 50.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 110.402 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.421 ' OD1' HD12 ' A' ' 1' ' ' LEU . 19.8 m-20 -61.36 140.26 58.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.567 1.167 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.7 mtt85 41.31 38.11 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.56 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 19.1 p -86.4 -23.42 26.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 108.331 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.484 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 25.5 p-10 -95.26 47.96 1.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.5 p30 . . . . . 0 C--O 1.25 1.092 0 CA-C-O 117.01 -1.471 . . . . 0.0 109.326 179.981 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.436 HD12 ' OD1' ' A' ' 57' ' ' ASP . 14.9 tp . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.522 ' OE2' HG23 ' A' ' 16' ' ' THR . 46.9 mm-40 -108.39 144.61 35.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.334 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 1.091 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 13.9 m -137.18 137.06 38.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 108.283 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.504 ' CG ' ' HA ' ' A' ' 61' ' ' ASN . 31.7 m-70 -63.04 145.18 56.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.616 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.452 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 4.0 p-10 -127.46 16.6 7.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.133 . . . . 0.0 109.362 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.405 ' OE1' ' O ' ' A' ' 61' ' ' ASN . 2.4 pt20 -64.2 135.42 56.27 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.506 1.129 . . . . 0.0 110.316 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.554 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 33.8 tt0 -106.56 141.73 37.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.26 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.7 m 45.92 -134.94 0.82 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 110.003 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.6 p -93.94 20.64 7.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 109.978 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.625 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 6.0 mm100 -68.61 169.72 10.06 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 110.262 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.625 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.5 Cg_exo -58.91 130.79 38.34 Favored 'Trans proline' 0 C--N 1.325 -0.694 0 C-N-CA 124.332 3.355 . . . . 0.0 109.878 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.9 Cg_exo -58.85 123.23 13.07 Favored 'Trans proline' 0 C--N 1.325 -0.705 0 C-N-CA 124.386 3.391 . . . . 0.0 109.848 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.478 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.1 p -131.66 174.38 10.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.084 . . . . 0.0 110.415 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -143.62 157.19 44.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.38 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -146.95 149.43 33.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.522 HG23 ' OE2' ' A' ' 2' ' ' GLU . 3.6 m -76.98 134.06 38.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.362 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 1.091 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -88.15 122.11 31.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 108.265 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.1 m -103.02 116.45 32.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.991 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.56 -10.33 24.12 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.501 1.126 . . . . 0.0 110.972 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.493 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 9.2 mt-10 -103.55 158.8 16.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 0.764 . . . . 0.0 110.266 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.417 ' C ' ' CD2' ' A' ' 1' ' ' LEU . 7.3 p -138.64 15.96 2.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.395 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.5 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 22.7 m-80 -134.99 155.15 51.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.476 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 38.7 m -117.23 136.72 52.87 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 108.316 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.669 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 13.5 p90 -116.14 152.88 32.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.112 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.541 ' CE ' ' NH1' ' A' ' 38' ' ' ARG . 29.3 tttm -138.9 116.73 11.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.569 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 11.7 ttmt -109.48 142.24 40.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.588 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 24.0 p90 -159.98 144.96 15.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 108.015 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.618 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 39.3 p90 -160.93 170.98 19.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 107.992 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 t -105.05 153.01 22.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.991 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.445 ' OD1' ' CD1' ' A' ' 28' ' ' TRP . 1.4 m-20 -146.94 166.65 26.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -67.4 -10.55 52.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.584 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -102.44 -28.22 12.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.274 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.39 -174.94 33.46 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.1 m -86.33 114.63 23.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 0.782 . . . . 0.0 110.372 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.618 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 13.6 mt -90.19 134.76 28.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.549 HG21 ' NH2' ' A' ' 38' ' ' ARG . 7.8 mt -129.45 121.21 52.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -126.48 113.79 17.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.266 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.549 ' NH2' HG21 ' A' ' 36' ' ' ILE . 8.4 mtt180 -124.07 160.36 27.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 110.309 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.669 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -177.35 -172.95 42.42 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.121 . . . . 0.0 111.023 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 21.8 m -83.83 151.2 25.28 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.402 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 95.44 -167.43 26.06 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.484 1.115 . . . . 0.0 110.979 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 38.3 t -145.06 74.44 14.38 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.617 ' O ' HD21 ' A' ' 51' ' ' LEU . 61.9 Cg_endo -69.82 -179.59 3.04 Favored 'Trans proline' 0 C--N 1.325 -0.697 0 C-N-CA 124.243 3.295 . . . . 0.0 110.804 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -114.69 140.26 49.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.821 HG13 HD22 ' A' ' 51' ' ' LEU . 16.8 m -114.09 163.32 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.474 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 7.1 mtmm -85.76 170.06 14.03 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.474 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 51.6 Cg_exo -58.85 134.12 58.24 Favored 'Trans proline' 0 C--N 1.326 -0.64 0 C-N-CA 124.329 3.353 . . . . 0.0 109.865 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.13 -35.33 5.02 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.491 HG13 ' CE3' ' A' ' 28' ' ' TRP . 2.6 t -81.26 145.77 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.76 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.588 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 52.5 m-80 -98.93 143.16 29.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.821 HD22 HG13 ' A' ' 45' ' ' VAL . 28.6 tp -144.12 139.49 28.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.532 ' H ' HD12 ' A' ' 51' ' ' LEU . 11.8 t-20 -139.11 121.26 15.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.473 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 62.6 m -111.02 146.18 37.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 108.307 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.6 p -152.75 162.32 41.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 108.307 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.5 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 22.7 mtp85 -112.36 46.27 1.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 110.303 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.549 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -133.22 144.35 49.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.386 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.436 ' OD1' HD12 ' A' ' 1' ' ' LEU . 17.5 m-20 -61.34 139.21 58.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.453 ' O ' ' ND2' ' A' ' 61' ' ' ASN . 16.5 mtt85 41.48 39.82 1.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.33 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.549 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 21.7 p -87.01 -24.43 24.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 108.262 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.476 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 24.5 p-10 -95.1 46.54 1.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.338 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.504 ' HA ' ' CG ' ' A' ' 4' ' ' HIS . 1.6 m120 . . . . . 0 C--O 1.25 1.092 0 CA-C-O 117.022 -1.466 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.441 HD12 ' OD1' ' A' ' 57' ' ' ASP . 13.0 tp . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -108.04 144.28 35.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 1.078 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 18.3 m -137.03 136.77 38.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 108.312 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.639 ' CD2' ' CB ' ' A' ' 61' ' ' ASN . 27.2 m-70 -61.18 150.4 34.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.59 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.427 ' O ' ' OD1' ' A' ' 5' ' ' ASN . 7.8 p30 -134.07 16.3 3.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.54 ' NE2' ' NH2' ' A' ' 38' ' ' ARG . 0.7 OUTLIER -64.27 135.93 56.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.153 . . . . 0.0 110.307 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.55 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 7.1 mp0 -106.36 141.31 37.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.9 m 44.79 -135.76 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.024 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.5 p -92.42 20.46 6.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.996 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.618 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 22.6 mm-40 -69.74 169.89 11.31 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.344 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.618 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 52.0 Cg_exo -58.96 128.58 28.41 Favored 'Trans proline' 0 C--N 1.325 -0.7 0 C-N-CA 124.359 3.373 . . . . 0.0 109.86 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.8 Cg_exo -58.9 124.03 14.81 Favored 'Trans proline' 0 C--N 1.325 -0.687 0 C-N-CA 124.358 3.372 . . . . 0.0 109.858 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.472 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.1 p -131.49 174.32 10.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.372 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -142.4 157.03 45.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.398 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -146.21 149.33 33.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.7 m -77.22 132.92 38.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.383 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 1.078 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -85.83 121.93 29.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 108.336 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.3 m -102.73 116.21 32.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 109.999 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 76.82 -10.12 20.37 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.472 1.108 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.478 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 13.1 mt-10 -103.76 159.45 15.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 0.757 . . . . 0.0 110.313 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.406 ' C ' ' CD2' ' A' ' 1' ' ' LEU . 7.3 p -138.9 16.14 2.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.371 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.505 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 21.7 m-80 -134.33 155.3 50.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.491 ' O ' ' HA ' ' A' ' 53' ' ' CYS . 36.6 m -116.86 136.53 52.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 108.305 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.659 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 13.3 p90 -116.4 153.3 32.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.975 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.48 ' CD ' ' HD3' ' A' ' 38' ' ' ARG . 6.5 ttpm? -140.41 115.81 10.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.581 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 15.0 ttpt -109.87 142.13 41.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.605 ' HB3' HG23 ' A' ' 36' ' ' ILE . 28.5 p90 -159.2 144.22 15.78 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.568 ' CE2' ' HB ' ' A' ' 35' ' ' ILE . 27.9 p90 -159.5 171.12 20.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 107.975 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 87.6 p -103.93 153.96 20.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.983 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -147.06 167.07 24.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.263 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.524 ' O ' ' CD2' ' A' ' 31' ' ' HIS . 9.7 t60 -67.63 -10.7 54.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 109.578 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 31.4 tpt180 -102.56 -28.28 12.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.6 -174.94 33.61 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.483 1.115 . . . . 0.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.8 m -85.24 113.75 21.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 0.785 . . . . 0.0 110.41 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.568 ' HB ' ' CE2' ' A' ' 28' ' ' TRP . 10.1 mt -90.07 133.17 32.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.605 HG23 ' HB3' ' A' ' 27' ' ' TRP . 6.5 mt -129.01 123.86 59.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.427 ' CA ' ' OE1' ' A' ' 37' ' ' GLU . 3.4 tp10 -129.85 113.94 15.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.54 ' NH2' ' NE2' ' A' ' 6' ' ' GLN . 11.6 mtm180 -123.22 160.34 26.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.27 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.659 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -176.61 -171.44 40.29 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.534 1.146 . . . . 0.0 110.953 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 21.2 m -84.66 151.6 24.35 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 96.18 -166.81 24.69 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 37.8 t -146.67 74.89 12.33 Favored Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.586 ' O ' HD21 ' A' ' 51' ' ' LEU . 61.5 Cg_endo -69.8 -179.56 3.02 Favored 'Trans proline' 0 C--N 1.326 -0.639 0 C-N-CA 124.193 3.262 . . . . 0.0 110.829 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -114.5 139.85 49.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.86 HG13 HD22 ' A' ' 51' ' ' LEU . 14.5 m -113.88 162.87 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.471 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 25.2 mtmt -85.75 169.59 15.33 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.471 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 51.8 Cg_exo -58.84 134.05 57.81 Favored 'Trans proline' 0 C--N 1.325 -0.658 0 C-N-CA 124.359 3.372 . . . . 0.0 109.882 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.07 -35.29 5.05 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.129 . . . . 0.0 110.975 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.478 HG12 ' HG3' ' A' ' 26' ' ' LYS . 3.0 t -80.05 148.77 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 0.749 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.583 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 55.1 m-80 -101.15 142.65 32.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.86 HD22 HG13 ' A' ' 45' ' ' VAL . 27.4 tp -144.74 139.5 27.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.537 ' H ' HD12 ' A' ' 51' ' ' LEU . 16.5 t-20 -138.76 120.34 15.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.491 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 69.3 m -111.59 144.7 40.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 108.286 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.5 p -152.01 163.29 39.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 108.326 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.505 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 41.7 mtp180 -112.58 46.24 1.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.258 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.555 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -133.54 144.45 49.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.382 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.441 ' OD1' HD12 ' A' ' 1' ' ' LEU . 18.9 m-20 -61.18 139.86 58.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.5 mtt180 40.93 38.91 0.73 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.555 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 20.7 p -86.0 -24.53 26.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 108.29 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.477 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 25.7 p-10 -94.0 41.85 1.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.639 ' CB ' ' CD2' ' A' ' 4' ' ' HIS . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.112 0 CA-C-O 116.99 -1.481 . . . . 0.0 109.259 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.427 HD12 ' OD1' ' A' ' 57' ' ' ASP . 13.3 tp . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -110.0 144.24 38.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.105 . . . . 0.0 110.279 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 1.142 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 10.1 m -137.56 137.55 38.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 108.27 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.542 ' CD2' ' CB ' ' A' ' 61' ' ' ASN . 29.7 m-70 -60.31 146.96 42.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.574 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.445 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 3.7 p-10 -130.94 15.38 5.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.525 ' NE2' ' NH2' ' A' ' 38' ' ' ARG . 4.6 pt20 -75.58 144.25 41.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 110.314 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.488 ' CG ' ' N ' ' A' ' 8' ' ' SER . 27.0 tt0 -106.28 159.1 16.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.265 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.488 ' N ' ' CG ' ' A' ' 7' ' ' GLN . 7.1 m 34.08 -131.5 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 110.042 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.3 m -93.56 -0.31 56.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.982 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.591 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 11.5 mt-30 -44.33 169.31 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.328 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.591 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.9 Cg_exo -58.9 126.13 20.24 Favored 'Trans proline' 0 C--N 1.325 -0.681 0 C-N-CA 124.351 3.367 . . . . 0.0 109.867 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.8 Cg_exo -58.86 126.2 20.47 Favored 'Trans proline' 0 C--N 1.325 -0.704 0 C-N-CA 124.363 3.375 . . . . 0.0 109.885 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.497 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.1 p -133.54 174.76 10.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.389 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 p -145.18 157.43 44.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.384 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.5 ptpt -148.09 149.27 31.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.338 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.9 m -77.22 126.92 31.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.38 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 1.142 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -79.62 122.22 26.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 108.312 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.4 t -102.43 116.56 32.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.977 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 78.88 -11.69 26.65 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.494 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 8.4 mt-10 -103.49 158.81 16.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 110.272 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.0 p -138.42 15.95 2.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 110.368 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.499 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 22.8 m-80 -135.12 155.05 51.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.466 ' O ' ' HA ' ' A' ' 53' ' ' CYS . 37.8 m -116.96 136.61 52.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 108.289 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.666 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 16.1 p90 -114.91 152.41 32.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.557 ' HG2' ' CE3' ' A' ' 27' ' ' TRP . 44.9 tttp -136.32 116.77 13.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.58 ' HD2' HG12 ' A' ' 45' ' ' VAL . 13.9 mtmm -109.8 140.76 43.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.6 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 24.5 p90 -160.54 144.13 13.65 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.627 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 34.1 p90 -159.87 171.14 19.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 107.982 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.9 t -104.63 154.01 20.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.979 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -147.49 166.58 26.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 37.9 m-70 -67.32 -10.6 52.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.57 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -102.55 -28.21 12.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.302 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.66 -174.93 33.65 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.529 1.143 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.2 m -85.7 113.04 21.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 0.758 . . . . 0.0 110.417 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.627 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 13.2 mt -88.69 131.95 34.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.471 ' O ' ' HA ' ' A' ' 7' ' ' GLN . 10.6 mt -126.38 123.31 63.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.443 ' OE2' ' NZ ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -132.55 114.29 14.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.525 ' NH2' ' NE2' ' A' ' 6' ' ' GLN . 12.2 mtm180 -126.64 160.61 30.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.666 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -173.22 -168.59 34.62 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.497 1.123 . . . . 0.0 111.014 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.0 m -85.41 151.33 24.07 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.403 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 95.45 -167.78 26.3 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.508 1.13 . . . . 0.0 110.966 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 36.7 t -145.25 74.18 14.21 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.658 ' O ' HD21 ' A' ' 51' ' ' LEU . 61.5 Cg_endo -69.82 -179.62 3.07 Favored 'Trans proline' 0 C--N 1.325 -0.706 0 C-N-CA 124.197 3.265 . . . . 0.0 110.825 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -113.81 140.79 48.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.831 HG13 HD22 ' A' ' 51' ' ' LEU . 14.4 m -114.28 161.6 12.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.479 ' HB3' ' CD ' ' A' ' 47' ' ' PRO . 10.2 mtpp -86.28 171.13 10.89 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.479 ' CD ' ' HB3' ' A' ' 46' ' ' LYS . 51.8 Cg_exo -58.92 133.03 50.99 Favored 'Trans proline' 0 C--N 1.324 -0.726 0 C-N-CA 124.306 3.337 . . . . 0.0 109.86 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.73 -35.34 5.05 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.5 t -81.28 146.85 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.562 0.801 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.6 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 52.2 m-80 -101.49 140.93 35.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.831 HD22 HG13 ' A' ' 45' ' ' VAL . 19.8 tp -141.07 140.15 34.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.611 ' H ' HD12 ' A' ' 51' ' ' LEU . 1.5 t-20 -139.38 119.64 13.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.338 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.466 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 61.5 m -110.12 146.06 36.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 108.312 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.5 p -153.42 162.65 41.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 108.347 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.499 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 39.0 mtt-85 -112.08 45.92 1.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.56 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -132.57 144.41 50.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.406 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.427 ' OD1' HD12 ' A' ' 1' ' ' LEU . 17.5 m-20 -61.12 139.35 58.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 40.83 39.47 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.257 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.56 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 21.2 p -86.11 -23.6 26.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 108.271 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.45 ' O ' ' NE ' ' A' ' 38' ' ' ARG . 28.1 p-10 -94.19 42.33 1.09 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.584 1.178 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.542 ' CB ' ' CD2' ' A' ' 4' ' ' HIS . 1.8 p-10 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 116.974 -1.489 . . . . 0.0 109.347 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.427 HD12 ' OD1' ' A' ' 57' ' ' ASP . 12.8 tp . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -110.46 145.08 38.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 110.289 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 1.132 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 12.1 m -137.39 137.23 38.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 108.364 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.516 ' HA ' ' O ' ' A' ' 13' ' ' THR . 36.6 m-70 -62.64 139.05 58.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.569 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.441 ' OD1' ' C ' ' A' ' 5' ' ' ASN . 4.4 p30 -120.22 9.41 11.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.45 ' O ' ' NH1' ' A' ' 38' ' ' ARG . 2.4 pt20 -67.32 141.94 56.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.452 ' O ' ' C ' ' A' ' 8' ' ' SER . 7.3 pt20 -106.66 157.43 17.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.267 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 7' ' ' GLN . 6.1 m 35.34 -133.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.997 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.3 m -91.32 -0.93 57.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.984 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.6 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 37.4 mm-40 -44.45 168.78 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.6 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.5 Cg_exo -58.82 129.33 31.63 Favored 'Trans proline' 0 C--N 1.325 -0.681 0 C-N-CA 124.362 3.375 . . . . 0.0 109.911 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.7 Cg_exo -58.88 125.25 17.67 Favored 'Trans proline' 0 C--N 1.325 -0.698 0 C-N-CA 124.351 3.367 . . . . 0.0 109.865 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.516 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.1 p -132.58 174.82 9.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.371 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -145.58 156.59 43.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.4 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.0 mmmt -147.15 148.84 31.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.583 1.177 . . . . 0.0 109.329 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.6 m -77.78 128.22 33.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.392 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 1.132 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -81.29 122.12 27.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 108.324 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.1 t -102.63 116.38 32.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.051 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 78.13 -10.7 26.13 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.493 1.121 . . . . 0.0 110.965 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.499 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 6.7 mt-10 -103.6 159.88 15.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 0.787 . . . . 0.0 110.307 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.1 p -139.12 15.96 2.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.412 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.504 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 21.0 m-80 -135.33 155.3 50.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.492 ' O ' ' HA ' ' A' ' 53' ' ' CYS . 39.8 m -116.96 136.2 53.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 108.298 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.611 ' CE2' ' C ' ' A' ' 39' ' ' GLY . 16.8 p90 -115.44 153.86 30.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 111.013 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.494 ' HG3' ' CD ' ' A' ' 38' ' ' ARG . 32.9 tttm -141.2 118.6 11.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.917 ' CD ' HD13 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -109.82 141.7 42.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.607 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 22.6 p90 -159.44 142.75 14.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 107.986 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.617 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 39.4 p90 -157.07 168.86 26.22 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.5 t -105.3 149.82 25.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 110.025 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -145.55 165.96 27.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 34.4 p-80 -68.0 -9.3 44.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.586 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -102.37 -28.19 12.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 154.96 -174.86 33.15 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.546 1.154 . . . . 0.0 110.967 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.0 m -89.84 113.59 25.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 0.766 . . . . 0.0 110.445 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.617 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 18.2 mt -89.89 133.64 31.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.494 HG23 ' HB3' ' A' ' 27' ' ' TRP . 7.7 mt -129.92 123.69 57.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -128.34 114.61 17.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 110.272 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.494 ' CD ' ' HG3' ' A' ' 25' ' ' LYS . 15.1 mtt85 -118.35 160.61 21.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.257 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.611 ' C ' ' CE2' ' A' ' 24' ' ' TYR . . . -177.59 -174.26 43.79 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.404 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 21.0 m -86.71 151.72 23.16 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.405 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 95.94 -167.19 25.23 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.478 1.111 . . . . 0.0 111.024 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.413 ' HA ' ' HB3' ' A' ' 24' ' ' TYR . 39.6 t -146.61 74.67 12.44 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.565 ' O ' HD21 ' A' ' 51' ' ' LEU . 61.9 Cg_endo -69.83 178.27 4.79 Favored 'Trans proline' 0 C--N 1.325 -0.666 0 C-N-CA 124.179 3.252 . . . . 0.0 110.831 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.73 142.44 44.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.731 HG11 ' CG ' ' A' ' 26' ' ' LYS . 14.5 m -118.29 163.71 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.361 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.483 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 26.7 mttp -87.05 170.49 12.03 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.483 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 51.8 Cg_exo -58.93 134.8 62.49 Favored 'Trans proline' 0 C--N 1.325 -0.671 0 C-N-CA 124.372 3.381 . . . . 0.0 109.848 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.42 -35.56 4.88 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.457 1.098 . . . . 0.0 111.013 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.5 t -81.2 144.09 11.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 0.75 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.607 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 52.3 m-80 -98.73 140.16 33.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.917 HD13 ' CD ' ' A' ' 26' ' ' LYS . 15.1 tp -138.52 141.64 39.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.751 ' H ' HD12 ' A' ' 51' ' ' LEU . 9.7 t30 -139.25 117.34 11.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.492 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 69.4 m -111.59 143.64 42.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.11 . . . . 0.0 108.271 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.5 p -151.94 163.24 39.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 108.264 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.504 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 39.7 mtt180 -112.32 45.83 1.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.328 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.557 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -132.8 144.39 50.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.408 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.427 ' OD1' HD12 ' A' ' 1' ' ' LEU . 19.6 m-20 -61.39 139.87 58.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.2 mtt180 41.26 38.51 0.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.301 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.557 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 19.9 p -86.36 -23.67 26.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 108.304 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.479 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 25.7 p-10 -95.41 48.33 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.435 ' OD1' ' CE1' ' A' ' 4' ' ' HIS . 65.9 t30 . . . . . 0 C--O 1.25 1.128 0 CA-C-O 117.01 -1.472 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.483 HD12 ' OD1' ' A' ' 57' ' ' ASP . 15.5 tp . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.449 ' OE1' ' NE ' ' A' ' 58' ' ' ARG . 10.7 tt0 -109.8 148.74 30.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.27 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 1.168 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 10.2 m -140.39 139.91 35.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 108.33 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.559 ' CD2' ' HB2' ' A' ' 61' ' ' ASN . 35.1 m-70 -65.62 136.56 56.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.566 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.447 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 4.2 p-10 -118.85 15.27 13.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.416 ' CD ' ' HA ' ' A' ' 12' ' ' PRO . 2.3 pt20 -75.58 140.84 42.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.27 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.461 ' O ' ' C ' ' A' ' 8' ' ' SER . 29.4 mt-30 -106.89 161.92 14.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.461 ' C ' ' O ' ' A' ' 7' ' ' GLN . 4.2 m 34.74 -134.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.05 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.1 p -93.16 -0.16 57.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.947 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.578 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 2.0 mm100 -44.48 169.07 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.578 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.8 Cg_exo -58.91 128.44 27.97 Favored 'Trans proline' 0 C--N 1.326 -0.648 0 C-N-CA 124.34 3.36 . . . . 0.0 109.856 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.6 Cg_exo -58.93 125.57 18.58 Favored 'Trans proline' 0 C--N 1.325 -0.675 0 C-N-CA 124.32 3.347 . . . . 0.0 109.882 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.464 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.2 p -132.8 174.24 10.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.379 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.589 HG21 ' HD3' ' A' ' 58' ' ' ARG . 1.5 p -140.63 158.13 44.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.399 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.4 mtmt -149.42 148.4 29.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.2 m -78.07 135.27 37.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.451 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 1.168 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -89.15 122.01 32.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 108.278 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.0 p -102.57 116.44 32.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 110.033 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.52 -11.04 20.2 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.475 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 12.0 mt-10 -103.72 156.11 18.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 0.803 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.451 ' C ' ' CD2' ' A' ' 1' ' ' LEU . 4.6 p -135.1 15.73 3.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.387 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.481 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 24.7 m-80 -135.19 154.79 51.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.486 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 39.8 m -116.64 138.0 51.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 108.252 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.659 ' HB2' HD11 ' A' ' 51' ' ' LEU . 18.7 p90 -117.0 152.96 33.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 111.028 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -139.25 119.04 13.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.276 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.525 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 5.3 mtpp -109.33 142.15 40.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.597 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 26.2 p90 -160.14 143.78 14.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 108.032 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.628 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 32.0 p90 -160.03 170.94 20.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 107.975 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.7 p -104.79 152.39 22.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.011 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -145.86 167.04 24.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -67.12 -11.17 56.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.598 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -102.39 -28.18 12.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.342 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.34 -174.93 33.42 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.477 1.111 . . . . 0.0 111.018 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.1 m -86.35 115.46 23.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.754 . . . . 0.0 110.391 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.628 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 17.8 mt -90.79 136.98 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.533 HG23 ' HB3' ' A' ' 27' ' ' TRP . 6.9 mt -132.34 128.89 59.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -133.26 114.66 14.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.285 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.477 ' CZ ' ' OXT' ' A' ' 61' ' ' ASN . 12.7 mtt85 -115.61 160.6 19.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.611 ' C ' ' CE2' ' A' ' 24' ' ' TYR . . . -178.37 -177.35 47.0 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.535 1.147 . . . . 0.0 110.977 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.48 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 20.3 m -86.19 151.97 23.2 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.411 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 95.69 -168.04 26.15 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.447 1.092 . . . . 0.0 111.0 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.405 ' HA ' ' HB3' ' A' ' 24' ' ' TYR . 37.8 t -144.89 74.28 14.68 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.561 ' O ' HD21 ' A' ' 51' ' ' LEU . 62.0 Cg_endo -69.83 -179.69 3.12 Favored 'Trans proline' 0 C--N 1.325 -0.674 0 C-N-CA 124.167 3.245 . . . . 0.0 110.847 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.5 140.61 47.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.241 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.808 HG13 HD22 ' A' ' 51' ' ' LEU . 13.7 m -114.57 163.02 12.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.473 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 15.3 mtmt -86.56 170.0 13.59 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.473 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 51.9 Cg_exo -58.92 134.11 58.04 Favored 'Trans proline' 0 C--N 1.325 -0.677 0 C-N-CA 124.351 3.367 . . . . 0.0 109.828 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.49 -35.52 4.92 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.5 t -81.74 146.08 7.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.557 0.799 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.597 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 51.8 m-80 -100.21 142.69 31.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.808 HD22 HG13 ' A' ' 45' ' ' VAL . 34.9 tp -141.76 140.98 33.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.523 ' H ' HD12 ' A' ' 51' ' ' LEU . 3.0 t-20 -138.68 118.46 13.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 67.9 m -110.5 143.98 40.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 108.299 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.3 p -151.94 164.78 36.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 108.327 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.481 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 39.6 mtm180 -111.69 45.92 1.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.557 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.2 p -134.43 143.61 47.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 110.382 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.483 ' OD1' HD12 ' A' ' 1' ' ' LEU . 0.8 OUTLIER -62.53 141.85 58.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.589 ' HD3' HG21 ' A' ' 14' ' ' THR . 18.3 mtt85 42.81 35.15 0.67 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.557 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 16.4 p -86.51 -22.78 26.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 108.295 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.486 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 20.5 p-10 -95.6 49.49 1.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.559 ' HB2' ' CD2' ' A' ' 4' ' ' HIS . 1.7 t-20 . . . . . 0 C--O 1.25 1.107 0 CA-C-O 117.015 -1.469 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.428 HD12 ' OD1' ' A' ' 57' ' ' ASP . 13.5 tp . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.4 mp0 -111.65 146.35 37.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 1.081 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 12.4 m -136.68 137.23 39.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.163 . . . . 0.0 108.252 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.536 ' CD2' ' HB2' ' A' ' 61' ' ' ASN . 34.0 m-70 -60.5 146.3 45.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.621 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.428 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 4.5 p-10 -131.3 15.08 5.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.425 ' NE2' ' HA ' ' A' ' 12' ' ' PRO . 7.5 pt20 -65.32 143.3 57.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.549 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 3.7 tp-100 -106.83 132.57 52.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.447 ' N ' ' OE1' ' A' ' 7' ' ' GLN . 14.7 m 52.47 -129.69 2.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.017 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.0 m -92.3 1.09 57.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.993 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.649 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 9.0 mm-40 -46.21 169.12 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 110.305 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.649 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.7 Cg_exo -58.97 132.95 50.4 Favored 'Trans proline' 0 C--N 1.325 -0.709 0 C-N-CA 124.348 3.366 . . . . 0.0 109.871 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 52.0 Cg_exo -58.91 122.5 11.72 Favored 'Trans proline' 0 C--N 1.325 -0.708 0 C-N-CA 124.376 3.384 . . . . 0.0 109.869 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.486 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.0 p -132.52 172.99 11.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.37 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.471 HG21 ' NE ' ' A' ' 58' ' ' ARG . 2.0 p -145.58 157.79 43.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 110.399 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.45 149.54 34.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.4 m -77.12 132.85 39.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 110.405 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 1.081 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -87.33 121.93 30.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 108.34 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.9 t -102.86 116.28 32.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.158 . . . . 0.0 110.027 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 78.05 -10.82 25.0 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.548 1.155 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.489 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 10.3 mt-10 -103.56 156.2 17.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 0.764 . . . . 0.0 110.26 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.1 p -135.39 15.54 3.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.164 . . . . 0.0 110.359 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.492 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 24.2 m-80 -134.43 154.95 51.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 109.289 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.464 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 51.6 m -117.5 138.51 51.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 108.314 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.686 ' HB2' HD11 ' A' ' 51' ' ' LEU . 12.4 p90 -118.14 149.88 40.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 111.042 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.543 ' HE3' ' CZ3' ' A' ' 27' ' ' TRP . 21.6 ttpt -136.37 118.35 15.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.594 ' HG2' HD13 ' A' ' 51' ' ' LEU . 9.5 mttt -109.48 142.24 40.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.585 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 25.5 p90 -158.27 144.92 17.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 107.986 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.632 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 39.4 p90 -160.01 169.88 22.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 107.984 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.1 t -105.18 151.61 23.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.998 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.488 ' OD2' ' CD1' ' A' ' 35' ' ' ILE . 94.4 m-20 -145.7 166.77 24.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -67.52 -9.95 47.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.627 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -102.48 -28.41 12.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 154.84 -174.94 33.06 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.474 1.109 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.1 m -85.86 116.51 24.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 0.747 . . . . 0.0 110.422 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.632 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 15.7 mt -93.23 135.82 26.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.668 HG21 ' NH1' ' A' ' 38' ' ' ARG . 7.8 mt -129.92 122.7 55.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -123.93 113.85 19.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.668 ' NH1' HG21 ' A' ' 36' ' ' ILE . 23.8 mtt85 -116.14 160.35 20.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.658 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -178.6 179.69 48.65 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.499 1.124 . . . . 0.0 111.021 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.0 m -84.57 151.49 24.51 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.4 -165.51 25.0 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.463 1.102 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 35.2 t -144.85 73.66 14.91 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.623 ' O ' HD21 ' A' ' 51' ' ' LEU . 61.6 Cg_endo -69.8 -179.24 2.79 Favored 'Trans proline' 0 C--N 1.325 -0.686 0 C-N-CA 124.223 3.282 . . . . 0.0 110.834 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.9 ptmt -114.85 140.79 48.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.78 HG13 HD22 ' A' ' 51' ' ' LEU . 18.9 m -113.75 163.48 10.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.466 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 15.6 mttm -85.33 169.76 15.18 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.466 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 51.6 Cg_exo -58.9 133.95 57.03 Favored 'Trans proline' 0 C--N 1.325 -0.71 0 C-N-CA 124.333 3.355 . . . . 0.0 109.873 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.18 -35.21 5.1 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.517 1.136 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.468 HG13 ' CE3' ' A' ' 28' ' ' TRP . 2.6 t -81.75 146.05 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.585 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 53.1 m-80 -99.54 144.54 28.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.78 HD22 HG13 ' A' ' 45' ' ' VAL . 25.3 tp -144.63 139.92 28.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.338 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.563 ' H ' HD12 ' A' ' 51' ' ' LEU . 1.6 t-20 -138.81 120.03 14.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.454 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 61.2 m -109.76 145.0 37.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 108.284 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 p -153.9 164.22 38.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 108.314 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.492 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 48.4 mtt180 -111.7 45.79 1.19 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.58 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -132.2 144.18 50.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.436 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.428 ' OD1' HD12 ' A' ' 1' ' ' LEU . 19.7 m-20 -61.33 140.27 58.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.471 ' NE ' HG21 ' A' ' 14' ' ' THR . 24.0 mtt180 41.43 37.46 0.67 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.143 . . . . 0.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.58 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 16.7 p -86.98 -22.03 25.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 108.328 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.464 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 17.8 p-10 -95.3 48.19 1.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.536 ' HB2' ' CD2' ' A' ' 4' ' ' HIS . 12.9 t30 . . . . . 0 C--O 1.25 1.09 0 CA-C-O 116.997 -1.478 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.423 HD12 ' OD1' ' A' ' 57' ' ' ASP . 12.8 tp . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -109.72 145.89 35.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.343 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.14 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 11.1 m -137.71 137.27 38.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 108.334 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.561 ' CD2' ' HB3' ' A' ' 61' ' ' ASN . 35.4 m-70 -62.31 138.64 58.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.592 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.44 ' OD1' ' C ' ' A' ' 5' ' ' ASN . 4.7 p30 -120.87 10.21 10.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -68.25 141.39 55.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.455 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 2.1 mm-40 -106.63 159.07 16.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.323 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 7' ' ' GLN . 3.6 m 35.49 -135.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.988 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 10' ' ' GLN . 66.7 m -90.8 -1.04 57.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.999 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.594 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 36.1 mm-40 -44.24 168.83 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.336 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.594 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.8 Cg_exo -58.92 131.68 43.19 Favored 'Trans proline' 0 C--N 1.325 -0.699 0 C-N-CA 124.369 3.379 . . . . 0.0 109.872 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.6 Cg_exo -58.86 126.57 21.54 Favored 'Trans proline' 0 C--N 1.325 -0.669 0 C-N-CA 124.343 3.362 . . . . 0.0 109.89 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.504 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.0 p -132.85 174.47 10.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.419 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.437 HG21 ' NE ' ' A' ' 58' ' ' ARG . 2.2 p -145.52 157.85 43.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.168 . . . . 0.0 110.41 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.411 ' HD3' ' N ' ' A' ' 16' ' ' THR . 6.3 tmtt? -149.0 148.93 30.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.411 ' N ' ' HD3' ' A' ' 15' ' ' LYS . 3.7 m -77.62 132.9 38.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.407 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 1.14 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -87.04 121.9 30.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 108.312 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.6 t -102.91 116.49 32.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 109.96 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 78.81 -11.11 28.76 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.498 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 14.9 mt-10 -103.33 159.88 15.18 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.52 0.776 . . . . 0.0 110.254 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.2 p -138.91 15.46 2.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 110.44 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.501 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 22.8 m-80 -134.92 155.12 51.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.478 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 52.8 m -117.2 137.18 52.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 108.348 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.657 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 12.5 p90 -116.9 152.91 33.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.468 ' HG2' ' CE3' ' A' ' 27' ' ' TRP . 20.4 ttpp -139.44 117.9 12.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.57 ' HG2' HD13 ' A' ' 51' ' ' LEU . 8.3 mtmt -109.3 141.76 41.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.579 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 27.9 p90 -159.3 144.83 16.01 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.642 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 37.9 p90 -160.43 170.09 21.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 107.97 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.4 m -104.97 153.72 21.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 109.986 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.492 ' OD2' ' CD1' ' A' ' 35' ' ' ILE . 87.6 m-20 -147.93 166.94 26.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 31.1 m80 -67.19 -10.59 52.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.639 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.8 ttp85 -102.4 -28.17 12.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.12 -174.92 33.26 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.48 1.113 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.5 m -87.11 114.27 23.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 0.79 . . . . 0.0 110.398 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.642 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 15.6 mt -89.85 134.61 28.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.536 HG23 ' HB3' ' A' ' 27' ' ' TRP . 8.0 mt -130.14 124.18 57.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.432 ' HB3' ' CE ' ' A' ' 26' ' ' LYS . 35.1 tp10 -129.44 114.49 16.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.454 ' NH1' ' C ' ' A' ' 61' ' ' ASN . 50.5 mtt180 -119.73 160.43 22.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.657 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -176.73 -176.05 44.56 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.522 1.139 . . . . 0.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.0 m -84.21 151.58 24.75 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.68 -165.9 24.87 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.527 1.142 . . . . 0.0 110.959 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 36.9 t -145.93 74.03 13.4 Favored Pre-proline 0 C--N 1.325 -0.461 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.631 ' O ' HD21 ' A' ' 51' ' ' LEU . 61.5 Cg_endo -69.81 -179.49 2.97 Favored 'Trans proline' 0 C--N 1.325 -0.694 0 C-N-CA 124.173 3.249 . . . . 0.0 110.831 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.2 tptp -114.87 140.51 48.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.802 HG13 HD22 ' A' ' 51' ' ' LEU . 18.2 m -113.89 163.41 11.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.471 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 21.3 mttp -85.5 169.92 14.59 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.471 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 52.0 Cg_exo -58.94 133.76 55.72 Favored 'Trans proline' 0 C--N 1.324 -0.731 0 C-N-CA 124.382 3.388 . . . . 0.0 109.834 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.39 -35.24 5.1 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.506 1.128 . . . . 0.0 111.025 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.462 HG13 ' CE3' ' A' ' 28' ' ' TRP . 2.5 t -81.47 145.86 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 0.759 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.579 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 51.9 m-80 -98.91 143.75 28.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.802 HD22 HG13 ' A' ' 45' ' ' VAL . 21.7 tp -144.14 139.28 28.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.565 ' H ' HD12 ' A' ' 51' ' ' LEU . 8.3 t30 -138.4 120.49 15.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.362 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.459 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 65.8 m -111.36 145.06 39.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 108.28 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 p -153.33 163.78 39.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 108.257 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.501 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 31.2 mtp180 -111.95 45.76 1.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.133 . . . . 0.0 110.34 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.565 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -132.38 144.27 50.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.414 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.423 ' OD1' HD12 ' A' ' 1' ' ' LEU . 19.6 m-20 -61.4 139.82 58.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.437 ' NE ' HG21 ' A' ' 14' ' ' THR . 20.0 mtt180 41.53 38.56 0.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.565 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 18.6 p -87.12 -23.08 24.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 108.316 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.478 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 22.2 p-10 -95.1 46.79 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.561 ' HB3' ' CD2' ' A' ' 4' ' ' HIS . 2.2 p-10 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 116.992 -1.48 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.427 HD12 ' OD1' ' A' ' 57' ' ' ASP . 12.8 tp . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -109.04 144.65 36.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 110.273 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.149 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 10.9 m -137.48 137.2 38.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 108.288 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.51 ' HA ' ' O ' ' A' ' 13' ' ' THR . 37.7 m-70 -62.89 139.76 58.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.626 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.442 ' OD1' ' C ' ' A' ' 5' ' ' ASN . 4.4 p30 -121.22 9.52 10.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -66.72 139.28 57.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.33 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.453 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 0.6 OUTLIER -106.33 161.53 14.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 7' ' ' GLN . 6.6 m 35.04 -132.4 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.977 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.5 m -95.06 -1.03 53.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.991 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.565 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 2.7 mt-30 -44.7 168.86 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 110.318 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.565 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.8 Cg_exo -58.94 130.6 37.39 Favored 'Trans proline' 0 C--N 1.325 -0.705 0 C-N-CA 124.341 3.36 . . . . 0.0 109.855 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.8 Cg_exo -58.92 126.79 22.14 Favored 'Trans proline' 0 C--N 1.325 -0.683 0 C-N-CA 124.357 3.372 . . . . 0.0 109.914 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.51 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.0 p -132.66 174.71 10.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.406 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 p -145.5 156.48 43.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 110.429 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.3 mtpt -147.43 149.26 32.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.444 1.09 . . . . 0.0 109.328 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.6 m -77.35 130.95 37.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.413 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 1.149 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.8 m -85.62 121.94 29.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 108.269 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.5 t -103.3 116.9 33.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.007 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 79.42 -10.88 34.17 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.484 1.115 . . . . 0.0 110.954 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.507 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 5.1 mt-10 -103.08 161.2 13.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 0.742 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.6 p -140.53 15.34 2.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.381 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.499 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 22.8 m-80 -135.64 154.89 51.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.489 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 51.5 m -117.38 138.28 51.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 108.286 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.677 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 12.1 p90 -117.96 153.33 33.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.093 . . . . 0.0 111.001 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.558 ' HE3' ' CZ3' ' A' ' 27' ' ' TRP . 17.5 ttpt -139.7 117.68 11.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.621 ' HG2' HD13 ' A' ' 51' ' ' LEU . 12.9 mtmt -109.36 142.75 39.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.57 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 24.3 p90 -160.12 144.38 14.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 108.011 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.625 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 35.3 p90 -162.13 171.02 18.12 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.9 t -102.66 153.18 20.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -146.36 166.46 26.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.46 ' H ' ' CD2' ' A' ' 31' ' ' HIS . 6.4 p80 -66.77 -11.3 54.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.608 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 64.1 mtt180 -102.47 -28.15 12.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.301 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.21 -174.92 33.33 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.2 m -82.92 113.13 20.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 0.794 . . . . 0.0 110.358 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.625 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 11.2 mt -88.81 131.51 36.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.514 HG21 HH21 ' A' ' 38' ' ' ARG . 11.1 mt -126.66 122.4 60.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.396 1.06 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 65.5 tt0 -129.08 114.3 16.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.271 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.514 HH21 HG21 ' A' ' 36' ' ' ILE . 45.8 mtt180 -124.98 161.0 27.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.677 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -176.15 -172.68 41.12 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.567 1.167 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.7 m -84.0 150.95 25.29 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.5 -165.67 24.97 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 35.8 t -145.4 74.34 13.99 Favored Pre-proline 0 C--N 1.325 -0.465 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.651 ' O ' HD21 ' A' ' 51' ' ' LEU . 61.6 Cg_endo -69.81 -179.14 2.73 Favored 'Trans proline' 0 C--N 1.325 -0.686 0 C-N-CA 124.205 3.27 . . . . 0.0 110.846 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.95 140.97 48.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.254 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.813 HG13 HD22 ' A' ' 51' ' ' LEU . 17.0 m -113.67 162.32 11.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.472 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 29.3 mtmt -85.61 170.38 13.21 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.472 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 51.7 Cg_exo -58.83 133.21 52.37 Favored 'Trans proline' 0 C--N 1.325 -0.674 0 C-N-CA 124.359 3.373 . . . . 0.0 109.855 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.39 -35.24 5.1 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.527 1.142 . . . . 0.0 110.983 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.528 HG13 ' CE3' ' A' ' 28' ' ' TRP . 2.6 t -81.49 147.21 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 0.749 . . . . 0.0 109.257 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.57 ' O ' ' HA ' ' A' ' 26' ' ' LYS . 53.0 m-80 -100.78 144.33 29.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.337 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.813 HD22 HG13 ' A' ' 45' ' ' VAL . 18.1 tp -144.49 139.76 28.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.633 ' H ' HD12 ' A' ' 51' ' ' LEU . 2.4 t-20 -138.72 120.44 15.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.469 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 63.2 m -111.16 146.1 37.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 108.265 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 p -153.97 163.89 39.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 108.299 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.499 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 16.2 mtt85 -112.06 46.05 1.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.33 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.565 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -133.04 144.48 50.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.351 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.427 ' OD1' HD12 ' A' ' 1' ' ' LEU . 19.5 m-20 -61.19 140.19 57.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.2 mtt180 41.02 38.24 0.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.306 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.565 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 18.9 p -86.33 -21.68 27.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 108.294 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.489 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 25.6 p-10 -95.18 47.26 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.448 ' OXT' ' NH1' ' A' ' 38' ' ' ARG . 11.5 t-20 . . . . . 0 C--O 1.25 1.125 0 CA-C-O 117.003 -1.475 . . . . 0.0 109.326 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.423 HD12 ' OD1' ' A' ' 57' ' ' ASP . 13.2 tp . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -111.05 145.62 38.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.178 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 10.0 m -137.39 137.45 38.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 0.0 108.305 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.506 ' HA ' ' O ' ' A' ' 13' ' ' THR . 37.0 m-70 -62.64 139.96 58.67 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 109.621 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.442 ' OD1' ' C ' ' A' ' 5' ' ' ASN . 4.4 p30 -121.62 9.41 10.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.448 ' O ' ' NH1' ' A' ' 38' ' ' ARG . 2.1 pt20 -66.78 140.89 57.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.442 ' O ' ' C ' ' A' ' 8' ' ' SER . 23.4 mp0 -106.31 156.74 18.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.284 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 7' ' ' GLN . 5.5 m 36.04 -133.41 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 110.03 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.9 m -91.33 -1.29 57.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.598 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 37.6 mm-40 -44.47 168.71 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.598 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.7 Cg_exo -58.95 128.98 29.85 Favored 'Trans proline' 0 C--N 1.325 -0.7 0 C-N-CA 124.329 3.353 . . . . 0.0 109.877 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.7 Cg_exo -58.93 125.48 18.32 Favored 'Trans proline' 0 C--N 1.324 -0.717 0 C-N-CA 124.344 3.363 . . . . 0.0 109.862 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.506 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.0 p -132.48 174.85 9.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.41 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -145.3 156.76 44.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.405 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.5 mttt -146.93 149.06 32.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.7 m -77.71 127.71 32.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 110.405 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 1.178 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -81.2 122.03 26.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 0.0 108.285 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.9 p -102.66 116.63 32.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.59 1.181 . . . . 0.0 110.004 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 78.35 -11.34 24.7 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.565 1.166 . . . . 0.0 110.993 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.487 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 10.2 mt-10 -103.49 156.57 17.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.272 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.9 p -135.65 15.76 3.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.377 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.499 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 23.1 m-80 -134.98 155.03 51.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.476 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 52.0 m -117.32 137.6 52.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 108.297 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.659 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 12.7 p90 -117.26 153.19 33.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.479 ' HG3' ' CD ' ' A' ' 38' ' ' ARG . 24.1 ttpt -140.39 117.62 11.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.594 ' HG2' HD13 ' A' ' 51' ' ' LEU . 6.9 mttt -109.26 142.63 39.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.583 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 25.4 p90 -159.29 144.67 15.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 108.002 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.626 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 36.6 p90 -161.3 171.03 19.05 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 96.9 p -103.82 152.98 21.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.014 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -146.57 166.97 24.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -67.28 -11.07 56.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.585 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.0 mmm-85 -102.37 -28.13 12.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.07 -174.99 33.22 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.486 1.116 . . . . 0.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.8 m -84.24 113.61 21.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 0.758 . . . . 0.0 110.432 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.626 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 13.5 mt -89.3 132.69 33.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.519 HG23 ' HB3' ' A' ' 27' ' ' TRP . 8.1 mt -128.99 122.64 57.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -126.87 114.31 17.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.326 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.479 ' CD ' ' HG3' ' A' ' 25' ' ' LYS . 12.7 mtt85 -118.99 160.74 21.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.659 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -177.99 -176.25 45.81 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.469 1.105 . . . . 0.0 111.025 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.434 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 19.0 m -85.04 152.02 23.74 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.402 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 95.62 -165.63 24.79 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 37.3 t -145.98 73.47 13.46 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.628 ' O ' HD21 ' A' ' 51' ' ' LEU . 61.8 Cg_endo -69.79 -179.28 2.81 Favored 'Trans proline' 0 C--N 1.325 -0.669 0 C-N-CA 124.188 3.259 . . . . 0.0 110.83 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.0 140.63 48.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.788 HG13 HD22 ' A' ' 51' ' ' LEU . 18.7 m -113.74 163.56 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.468 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 22.5 mtpt -85.44 169.78 15.03 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.468 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 51.8 Cg_exo -58.86 133.88 56.65 Favored 'Trans proline' 0 C--N 1.325 -0.677 0 C-N-CA 124.402 3.401 . . . . 0.0 109.845 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.2 -35.15 5.15 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.523 1.139 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.502 HG13 ' CE3' ' A' ' 28' ' ' TRP . 2.6 t -81.63 146.26 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.56 0.8 . . . . 0.0 109.327 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.583 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 52.7 m-80 -99.22 144.85 27.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.788 HD22 HG13 ' A' ' 45' ' ' VAL . 22.4 tp -145.15 139.66 27.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.576 ' H ' HD12 ' A' ' 51' ' ' LEU . 2.1 t30 -138.74 120.92 15.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.359 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.466 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 63.6 m -111.37 145.25 39.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 108.275 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 p -152.98 163.72 39.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 108.32 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.499 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 14.3 mtm-85 -112.2 46.06 1.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.337 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.568 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -133.02 144.26 49.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.398 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.423 ' OD1' HD12 ' A' ' 1' ' ' LEU . 20.2 m-20 -61.26 140.39 57.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.1 mtt180 41.1 37.82 0.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.568 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 18.1 p -86.37 -23.31 26.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 0.0 108.325 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.476 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 19.4 p-10 -95.47 48.81 1.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 . . . . . 0 C--O 1.25 1.127 0 CA-C-O 116.989 -1.482 . . . . 0.0 109.317 179.973 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.423 HD12 ' OD1' ' A' ' 57' ' ' ASP . 13.1 tp . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 33.8 mp0 -111.08 145.68 38.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.154 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 10.5 m -137.57 137.55 38.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 108.311 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.504 ' HA ' ' O ' ' A' ' 13' ' ' THR . 37.3 m-70 -62.94 136.96 58.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.584 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.441 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 4.4 p-10 -119.61 15.11 12.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.26 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.451 ' O ' ' NH1' ' A' ' 38' ' ' ARG . 2.0 pt20 -72.83 141.65 48.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.5 ' CG ' ' N ' ' A' ' 8' ' ' SER . 21.2 tt0 -106.61 159.41 16.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.5 ' N ' ' CG ' ' A' ' 7' ' ' GLN . 4.9 m 34.81 -133.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.999 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.9 p -92.58 -0.69 57.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.013 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.585 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 2.3 mm100 -44.42 169.15 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.585 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.8 Cg_exo -58.93 128.06 26.58 Favored 'Trans proline' 0 C--N 1.324 -0.726 0 C-N-CA 124.395 3.396 . . . . 0.0 109.856 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.9 Cg_exo -58.85 125.69 18.97 Favored 'Trans proline' 0 C--N 1.325 -0.682 0 C-N-CA 124.339 3.36 . . . . 0.0 109.874 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.504 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.1 p -132.7 175.11 9.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.41 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 p -144.26 157.86 44.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.411 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.7 tptt -148.79 149.07 30.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.347 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.6 m -77.44 130.07 36.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.415 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 1.154 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -83.7 122.13 28.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 108.279 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 89.7 p -102.82 116.62 32.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.965 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 78.87 -11.21 28.78 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.502 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 5.7 mt-10 -103.35 159.4 15.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 0.754 . . . . 0.0 110.296 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.1 p -138.53 15.51 2.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.407 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.501 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 23.0 m-80 -135.46 155.14 51.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.477 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 50.5 m -117.26 137.47 52.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 108.293 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.641 ' HB2' HD11 ' A' ' 51' ' ' LEU . 16.9 p90 -117.79 153.32 33.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.975 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.489 ' HG3' ' CD ' ' A' ' 38' ' ' ARG . 36.9 tttm -140.77 118.72 11.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.565 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 0.2 OUTLIER -110.14 143.31 40.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.58 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 25.7 p90 -159.53 144.74 15.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 108.029 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.619 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 34.1 p90 -161.7 171.09 18.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 107.983 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 94.8 p -103.43 152.59 21.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.95 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.418 ' OD1' ' CD1' ' A' ' 28' ' ' TRP . 1.4 m-20 -145.93 166.99 24.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.353 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 41.1 p-80 -67.08 -11.19 56.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.544 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -102.43 -28.23 12.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 110.333 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.0 -175.05 33.15 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.12 . . . . 0.0 111.001 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.1 m -83.61 113.81 21.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.767 . . . . 0.0 110.411 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.619 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 13.7 mt -89.42 132.84 33.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.47 HG23 ' HB3' ' A' ' 27' ' ' TRP . 8.7 mt -128.6 123.52 59.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -128.03 114.32 16.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 110.333 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.489 ' CD ' ' HG3' ' A' ' 25' ' ' LYS . 12.3 mtt85 -119.49 160.86 21.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.262 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.635 ' C ' ' CE2' ' A' ' 24' ' ' TYR . . . -178.39 -175.86 45.84 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.545 1.153 . . . . 0.0 110.985 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.418 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 20.4 m -85.24 151.94 23.7 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.403 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 95.73 -166.37 25.05 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.13 . . . . 0.0 111.034 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.42 ' HA ' ' HB3' ' A' ' 24' ' ' TYR . 37.3 t -145.29 73.76 14.25 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.642 ' O ' HD21 ' A' ' 51' ' ' LEU . 61.5 Cg_endo -69.75 -179.44 2.91 Favored 'Trans proline' 0 C--N 1.324 -0.711 0 C-N-CA 124.199 3.266 . . . . 0.0 110.874 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.0 ptpt -115.28 140.74 48.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.797 HG13 HD22 ' A' ' 51' ' ' LEU . 18.3 m -113.93 163.54 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.473 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 28.8 mtpt -85.59 169.96 14.41 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.341 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.473 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 51.7 Cg_exo -58.88 133.77 55.89 Favored 'Trans proline' 0 C--N 1.324 -0.714 0 C-N-CA 124.422 3.414 . . . . 0.0 109.876 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.36 -35.27 5.08 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.522 1.139 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.458 HG13 ' CE3' ' A' ' 28' ' ' TRP . 2.6 t -81.5 146.7 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 0.76 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.58 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 53.1 m-80 -99.86 144.34 29.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.256 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.797 HD22 HG13 ' A' ' 45' ' ' VAL . 27.0 tp -145.21 139.77 27.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.55 ' H ' HD12 ' A' ' 51' ' ' LEU . 3.2 t-20 -139.04 121.75 16.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 62.2 m -111.89 145.86 38.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 108.269 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 p -153.46 163.6 39.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 108.28 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.501 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 39.5 mtt180 -112.12 45.96 1.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 110.284 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.567 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -132.73 144.31 50.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.416 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.423 ' OD1' HD12 ' A' ' 1' ' ' LEU . 19.9 m-20 -61.37 140.24 58.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.401 ' O ' ' ND2' ' A' ' 61' ' ' ASN . 14.7 mtt180 41.3 37.81 0.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.567 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 18.1 p -86.4 -23.33 26.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 108.299 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.477 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 19.1 p-10 -95.49 49.11 1.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.455 ' O ' ' CZ ' ' A' ' 38' ' ' ARG . 1.6 m120 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 117.045 -1.455 . . . . 0.0 109.34 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.421 HD12 ' OD1' ' A' ' 57' ' ' ASP . 13.1 tp . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -110.44 145.55 37.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 110.291 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.168 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 10.7 m -137.38 137.35 38.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 108.293 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.509 ' HA ' ' O ' ' A' ' 13' ' ' THR . 37.7 m-70 -62.86 139.18 58.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.599 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.441 ' OD1' ' C ' ' A' ' 5' ' ' ASN . 4.6 p30 -120.99 10.31 10.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.448 ' O ' ' NH1' ' A' ' 38' ' ' ARG . 2.1 pt20 -67.28 141.21 57.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.491 ' CG ' ' N ' ' A' ' 8' ' ' SER . 22.8 tt0 -106.56 159.01 16.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.491 ' N ' ' CG ' ' A' ' 7' ' ' GLN . 5.7 m 34.66 -133.06 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.036 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.3 m -92.64 -1.39 56.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 110.016 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.579 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 2.1 mm100 -44.44 169.14 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.282 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.579 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.7 Cg_exo -58.99 129.47 32.07 Favored 'Trans proline' 0 C--N 1.325 -0.69 0 C-N-CA 124.322 3.348 . . . . 0.0 109.883 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.9 Cg_exo -58.86 126.41 21.08 Favored 'Trans proline' 0 C--N 1.325 -0.699 0 C-N-CA 124.349 3.366 . . . . 0.0 109.856 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.509 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.0 p -132.42 175.13 9.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.383 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -145.19 157.31 44.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 110.372 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.6 tptt -147.81 148.76 31.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.5 m -77.76 128.76 34.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 0.0 110.364 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 1.168 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -82.14 122.08 27.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 108.277 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 m -102.53 116.54 32.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.038 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.73 -10.9 22.34 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.537 1.148 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.484 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 10.8 mt-10 -103.69 157.08 17.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.777 . . . . 0.0 110.318 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.2 p -136.19 15.9 3.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.083 . . . . 0.0 110.426 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.499 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 22.3 m-80 -134.97 155.19 51.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.481 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 46.2 m -117.54 136.83 52.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 108.296 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.686 ' HB2' HD11 ' A' ' 51' ' ' LEU . 13.0 p90 -116.1 151.21 36.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.473 ' HG3' ' CD ' ' A' ' 38' ' ' ARG . 5.7 ttpm? -136.19 117.14 14.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.582 ' HD2' ' CZ3' ' A' ' 28' ' ' TRP . 2.2 ttmm -108.98 141.67 40.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.611 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 22.8 p90 -160.62 143.63 13.21 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.59 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 29.0 p90 -159.7 171.13 20.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 108.032 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 84.6 p -104.43 152.85 21.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.964 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -146.45 166.96 24.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.4 ' ND1' ' N ' ' A' ' 31' ' ' HIS . 1.0 OUTLIER -67.5 -10.41 51.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.613 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -102.51 -28.18 12.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.313 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.11 -174.88 33.26 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.482 1.114 . . . . 0.0 111.019 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.1 m -85.23 113.37 21.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 110.399 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.59 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 13.6 mt -89.87 132.91 33.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.49 HG23 ' HB3' ' A' ' 27' ' ' TRP . 9.1 mt -127.96 124.19 62.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -128.87 114.24 16.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.334 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.474 ' CD ' ' O ' ' A' ' 60' ' ' ASN . 13.5 mtt85 -119.02 160.78 21.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.655 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -177.45 -177.07 46.04 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.525 1.141 . . . . 0.0 111.014 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.451 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 19.0 m -84.34 151.97 24.4 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.415 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 95.62 -166.98 25.5 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.529 1.143 . . . . 0.0 110.933 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 37.6 t -145.91 74.28 13.37 Favored Pre-proline 0 C--N 1.326 -0.431 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.573 ' O ' HD21 ' A' ' 51' ' ' LEU . 61.6 Cg_endo -69.86 178.28 4.79 Favored 'Trans proline' 0 C--N 1.325 -0.67 0 C-N-CA 124.169 3.246 . . . . 0.0 110.798 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.05 139.77 46.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.859 HG13 HD22 ' A' ' 51' ' ' LEU . 11.8 m -114.77 161.97 13.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.477 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 12.9 mtpp -86.72 170.28 12.78 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.477 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 51.8 Cg_exo -58.95 134.58 61.03 Favored 'Trans proline' 0 C--N 1.325 -0.675 0 C-N-CA 124.319 3.346 . . . . 0.0 109.877 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.28 -35.46 4.94 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.509 HG11 ' HD3' ' A' ' 26' ' ' LYS . 2.5 t -82.0 145.56 8.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.495 0.762 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.611 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 52.4 m-80 -99.78 141.48 32.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.859 HD22 HG13 ' A' ' 45' ' ' VAL . 36.0 tp -141.74 140.39 33.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.497 ' H ' HD12 ' A' ' 51' ' ' LEU . 12.2 t-20 -138.66 118.13 12.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 64.4 m -109.86 145.36 36.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 108.306 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 p -153.48 163.4 40.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.16 . . . . 0.0 108.331 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.499 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 24.1 mtp180 -112.21 46.13 1.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.561 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -133.37 144.33 49.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 110.398 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.421 ' OD1' HD12 ' A' ' 1' ' ' LEU . 20.1 m-20 -61.26 140.41 57.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.427 ' O ' ' ND2' ' A' ' 61' ' ' ASN . 24.1 mtt180 40.98 38.06 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.561 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 19.2 p -86.17 -23.4 26.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 108.328 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.481 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 23.7 p-10 -95.44 48.7 1.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.431 ' OXT' ' CZ ' ' A' ' 38' ' ' ARG . 7.6 m-80 . . . . . 0 C--O 1.25 1.124 0 CA-C-O 116.971 -1.49 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.423 HD12 ' OD1' ' A' ' 57' ' ' ASP . 13.0 tp . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -111.49 146.09 37.88 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.49 1.119 . . . . 0.0 110.256 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.154 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 11.0 m -137.16 137.53 39.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 108.241 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.55 ' CD2' ' HB3' ' A' ' 61' ' ' ASN . 36.5 m-70 -62.21 136.36 57.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.609 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.44 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 4.8 p-10 -119.59 14.93 12.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.413 ' CD ' ' HA ' ' A' ' 12' ' ' PRO . 2.6 pt20 -75.0 142.11 43.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.459 ' O ' ' C ' ' A' ' 8' ' ' SER . 0.3 OUTLIER -106.7 160.16 15.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.11 . . . . 0.0 110.263 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.459 ' C ' ' O ' ' A' ' 7' ' ' GLN . 3.7 m 35.11 -135.21 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.017 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 10' ' ' GLN . 75.3 p -91.41 0.06 57.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.969 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.598 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 37.4 mm-40 -44.28 169.13 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 110.277 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.598 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 52.0 Cg_exo -58.93 128.8 29.23 Favored 'Trans proline' 0 C--N 1.325 -0.685 0 C-N-CA 124.35 3.367 . . . . 0.0 109.813 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.6 Cg_exo -58.85 124.59 16.07 Favored 'Trans proline' 0 C--N 1.325 -0.703 0 C-N-CA 124.377 3.384 . . . . 0.0 109.906 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.493 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.1 p -132.79 174.3 10.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 110.407 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.443 HG21 ' NE ' ' A' ' 58' ' ' ARG . 2.2 p -144.82 158.07 43.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.406 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.7 ttmt -148.09 148.98 31.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.9 m -77.53 128.85 34.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 110.367 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 1.154 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -82.2 122.24 27.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 108.347 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.5 p -102.53 116.49 32.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 110.001 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 78.39 -11.45 24.51 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.518 1.136 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.489 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 9.9 mt-10 -103.53 157.39 17.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 110.277 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.3 p -136.56 15.79 3.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.417 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.499 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 22.9 m-80 -135.15 154.87 51.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.48 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 50.9 m -117.09 137.63 52.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 108.293 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.663 ' HB2' HD11 ' A' ' 51' ' ' LEU . 12.9 p90 -117.39 150.77 38.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.443 ' HE2' ' CZ3' ' A' ' 27' ' ' TRP . 3.4 ttpm? -137.25 116.48 12.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.636 ' CE ' HG11 ' A' ' 49' ' ' VAL . 27.4 tttt -109.36 143.18 39.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.592 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 26.7 p90 -159.36 144.32 15.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 107.958 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.615 ' CH2' HG22 ' A' ' 35' ' ' ILE . 18.3 p90 -159.16 171.11 20.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 107.983 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.7 p -103.77 152.51 21.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 110.036 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -144.81 167.02 23.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -67.08 -10.55 51.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.636 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 57.2 mtp180 -102.44 -28.25 12.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.279 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 154.86 -175.12 33.02 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.501 1.126 . . . . 0.0 110.963 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.4 m -82.68 115.04 21.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 0.778 . . . . 0.0 110.377 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.615 HG22 ' CH2' ' A' ' 28' ' ' TRP . 14.6 mt -92.74 134.54 30.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.582 HG23 ' HB3' ' A' ' 27' ' ' TRP . 7.1 mt -129.5 127.11 64.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -130.23 114.44 15.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.278 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.414 ' HD3' ' O ' ' A' ' 60' ' ' ASN . 11.0 mtt85 -116.53 160.84 20.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.645 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -177.82 -178.85 47.66 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.531 1.144 . . . . 0.0 110.999 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.448 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 19.4 m -84.44 152.31 24.08 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.7 -165.63 24.69 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.535 1.147 . . . . 0.0 111.007 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 36.9 t -146.11 73.74 13.24 Favored Pre-proline 0 C--N 1.324 -0.506 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.622 ' O ' HD21 ' A' ' 51' ' ' LEU . 62.1 Cg_endo -69.78 -179.21 2.76 Favored 'Trans proline' 0 C--N 1.325 -0.682 0 C-N-CA 124.174 3.25 . . . . 0.0 110.862 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -114.96 140.74 48.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.788 HG13 HD22 ' A' ' 51' ' ' LEU . 18.9 m -113.78 163.76 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.468 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 2.0 mtmp? -85.25 169.53 15.9 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.468 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 52.0 Cg_exo -59.01 133.52 53.97 Favored 'Trans proline' 0 C--N 1.325 -0.665 0 C-N-CA 124.358 3.372 . . . . 0.0 109.846 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.14 -35.26 5.07 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.472 1.107 . . . . 0.0 111.046 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.636 HG11 ' CE ' ' A' ' 26' ' ' LYS . 3.9 t -79.61 149.11 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.592 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 55.1 m-80 -101.86 143.43 31.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.788 HD22 HG13 ' A' ' 45' ' ' VAL . 29.3 tp -145.37 139.73 27.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.529 ' H ' HD12 ' A' ' 51' ' ' LEU . 1.1 t30 -138.91 120.52 15.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 62.9 m -110.73 145.45 38.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 108.298 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 p -153.49 163.76 39.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 108.257 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.499 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 12.1 mtm-85 -112.08 46.05 1.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.142 . . . . 0.0 110.254 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.567 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -132.95 144.28 50.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 110.426 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.423 ' OD1' HD12 ' A' ' 1' ' ' LEU . 19.9 m-20 -61.34 140.2 58.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.443 ' NE ' HG21 ' A' ' 14' ' ' THR . 22.8 mtt180 41.38 37.92 0.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.567 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 18.0 p -86.67 -22.85 25.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 108.278 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.48 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 20.5 p-10 -95.44 48.62 1.16 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.55 ' HB3' ' CD2' ' A' ' 4' ' ' HIS . 23.2 p-10 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 116.984 -1.484 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.475 HD12 ' OD1' ' A' ' 57' ' ' ASP . 15.2 tp . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -106.6 145.48 31.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.271 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.195 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 11.4 m -137.88 137.21 37.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 108.279 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.479 ' HA ' ' O ' ' A' ' 13' ' ' THR . 36.6 m-70 -63.03 137.15 58.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.625 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.44 ' OD1' ' C ' ' A' ' 5' ' ' ASN . 5.0 p30 -120.05 11.28 11.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.408 ' CD ' ' HA ' ' A' ' 12' ' ' PRO . 2.6 pt20 -71.35 142.29 50.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.46 ' O ' ' C ' ' A' ' 8' ' ' SER . 2.0 pt20 -106.7 159.21 16.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.46 ' C ' ' O ' ' A' ' 7' ' ' GLN . 3.8 m 34.97 -135.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 10' ' ' GLN . 99.7 p -90.52 -0.79 57.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.971 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.595 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 36.8 mm-40 -44.26 169.1 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.266 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.595 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.7 Cg_exo -58.91 129.54 32.5 Favored 'Trans proline' 0 C--N 1.325 -0.685 0 C-N-CA 124.363 3.375 . . . . 0.0 109.846 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.7 Cg_exo -58.85 125.99 19.86 Favored 'Trans proline' 0 C--N 1.326 -0.655 0 C-N-CA 124.309 3.339 . . . . 0.0 109.892 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.479 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.1 p -132.66 174.21 10.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.385 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.456 HG21 ' NE ' ' A' ' 58' ' ' ARG . 2.3 p -145.01 157.23 44.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.409 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.07 148.8 30.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.7 m -77.94 132.37 37.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.334 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 1.195 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -85.72 122.17 29.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 108.277 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.6 t -102.24 116.39 32.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.033 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 78.62 -12.1 23.19 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.52 1.138 . . . . 0.0 110.988 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.474 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 11.8 mt-10 -103.56 156.61 17.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 0.749 . . . . 0.0 110.321 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.429 ' C ' ' CD2' ' A' ' 1' ' ' LEU . 4.4 p -135.58 15.74 3.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.408 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.484 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 24.9 m-80 -134.65 154.48 51.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.484 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 41.1 m -116.84 137.97 51.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 108.267 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.667 ' HB2' HD11 ' A' ' 51' ' ' LEU . 14.1 p90 -116.72 152.96 33.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 111.038 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.535 ' HE2' ' CE3' ' A' ' 27' ' ' TRP . 24.5 tttt -139.1 117.42 11.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.568 ' HD3' ' CZ3' ' A' ' 28' ' ' TRP . 2.5 ttmp? -108.96 141.65 40.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.118 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.581 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 27.5 p90 -158.66 144.94 17.02 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.62 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 29.2 p90 -161.43 171.08 18.81 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.5 t -103.25 152.66 21.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.034 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -145.44 166.99 24.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 18.5 t-160 -67.08 -11.16 56.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.585 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -102.48 -28.33 12.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.19 -174.96 33.31 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.2 m -83.1 115.19 21.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 0.751 . . . . 0.0 110.436 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.62 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 13.5 mt -91.3 134.33 30.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.572 HG23 ' HB3' ' A' ' 27' ' ' TRP . 6.6 mt -131.28 127.07 59.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.127 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -132.73 114.92 14.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.7 mtt85 -116.38 160.83 19.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.259 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.649 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -176.5 -177.16 45.26 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.538 1.149 . . . . 0.0 111.005 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.453 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 18.5 m -85.13 151.81 23.85 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.401 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 95.46 -166.8 25.62 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.504 1.127 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 36.3 t -145.19 73.68 14.4 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.621 ' O ' HD21 ' A' ' 51' ' ' LEU . 61.6 Cg_endo -69.84 -179.09 2.7 Favored 'Trans proline' 0 C--N 1.325 -0.677 0 C-N-CA 124.183 3.256 . . . . 0.0 110.849 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.8 pttp -114.45 141.06 48.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.768 HG13 HD22 ' A' ' 51' ' ' LEU . 16.7 m -113.61 162.56 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.47 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 22.2 mtmm -85.58 170.19 13.77 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.47 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 51.6 Cg_exo -58.9 133.4 53.44 Favored 'Trans proline' 0 C--N 1.325 -0.693 0 C-N-CA 124.332 3.355 . . . . 0.0 109.9 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.34 -35.22 5.11 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.478 1.111 . . . . 0.0 110.973 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.6 t -81.68 147.0 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 109.329 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.581 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 52.8 m-80 -100.7 144.69 29.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.355 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.768 HD22 HG13 ' A' ' 45' ' ' VAL . 36.8 tp -143.86 140.19 29.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.492 ' H ' HD12 ' A' ' 51' ' ' LEU . 6.3 t30 -138.73 119.51 14.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.45 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 63.7 m -110.63 144.68 39.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 108.296 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.2 p -152.57 164.7 37.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 108.321 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.484 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 23.7 mtp85 -111.73 46.06 1.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.554 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.2 p -134.86 143.57 47.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.384 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.475 ' OD1' HD12 ' A' ' 1' ' ' LEU . 0.9 OUTLIER -62.49 142.32 57.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.456 ' NE ' HG21 ' A' ' 14' ' ' THR . 13.1 mtt180 42.75 34.87 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.554 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 15.8 p -86.31 -22.83 26.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 108.303 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.484 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 22.5 p-10 -95.55 49.48 1.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.0 p30 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 116.983 -1.484 . . . . 0.0 109.275 -179.972 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.416 HD12 ' OD1' ' A' ' 57' ' ' ASP . 13.5 tp . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.433 ' N ' ' CD ' ' A' ' 2' ' ' GLU . 4.6 mp0 -109.93 146.2 35.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.181 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 10.0 m -137.36 137.25 38.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 108.322 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.49 ' HA ' ' O ' ' A' ' 13' ' ' THR . 36.7 m-70 -62.33 144.04 56.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.536 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.447 ' OD1' ' C ' ' A' ' 5' ' ' ASN . 4.2 p30 -127.1 9.13 6.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.407 ' CB ' ' HA ' ' A' ' 12' ' ' PRO . 2.0 pt20 -65.69 143.91 57.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 110.296 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.479 ' CG ' ' O ' ' A' ' 36' ' ' ILE . 24.8 tt0 -106.71 154.85 20.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.46 ' C ' ' O ' ' A' ' 7' ' ' GLN . 5.2 m 34.57 -133.71 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.566 1.166 . . . . 0.0 109.966 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 10' ' ' GLN . 38.8 m -89.18 -2.67 58.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.013 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.592 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 3.1 mm100 -44.15 169.23 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.592 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.8 Cg_exo -58.94 126.81 22.19 Favored 'Trans proline' 0 C--N 1.324 -0.723 0 C-N-CA 124.39 3.393 . . . . 0.0 109.841 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.6 Cg_exo -58.84 126.89 22.47 Favored 'Trans proline' 0 C--N 1.326 -0.656 0 C-N-CA 124.358 3.372 . . . . 0.0 109.842 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.49 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.1 p -132.62 175.01 9.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.375 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.429 HG21 ' NE ' ' A' ' 58' ' ' ARG . 2.1 p -144.71 156.91 44.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 110.431 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.0 ttpt -146.65 149.01 32.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.6 m -77.49 129.74 36.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.442 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 1.181 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -83.45 122.04 27.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 108.263 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.9 t -102.93 116.58 32.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.965 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.85 -10.66 24.37 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.538 1.149 . . . . 0.0 110.959 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.493 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 9.6 mt-10 -103.5 156.25 17.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 0.732 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.3 p -135.27 15.62 3.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.391 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.496 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 23.0 m-80 -135.47 155.09 51.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.338 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.476 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 52.9 m -117.67 138.05 52.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 108.293 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.723 ' HB2' HD11 ' A' ' 51' ' ' LEU . 13.7 p90 -116.71 149.69 39.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.575 ' HE3' ' CE3' ' A' ' 27' ' ' TRP . 26.0 tttp -134.08 117.42 16.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.577 ' HD2' ' CZ3' ' A' ' 28' ' ' TRP . 2.3 ttmm -108.6 142.04 39.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.607 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 22.5 p90 -160.84 144.05 13.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 108.02 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.613 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 26.5 p90 -160.62 171.01 19.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 108.018 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.2 t -103.54 152.64 21.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.992 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.403 ' OD1' ' CD1' ' A' ' 28' ' ' TRP . 0.8 OUTLIER -145.79 167.05 24.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -67.27 -10.79 54.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.56 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 54.8 mmm-85 -102.47 -28.23 12.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.31 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 154.9 -174.95 33.1 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.2 m -83.47 114.13 21.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 0.76 . . . . 0.0 110.406 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.613 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 14.8 mt -90.86 134.12 30.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.488 HG23 ' HB3' ' A' ' 27' ' ' TRP . 8.6 mt -128.88 126.9 65.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.103 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -130.78 114.53 15.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.32 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.489 ' CZ ' ' OXT' ' A' ' 61' ' ' ASN . 12.6 mtt85 -116.26 160.71 20.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.331 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.663 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -177.07 -179.26 47.36 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.468 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 19.0 m -85.02 151.52 24.11 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.409 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 95.33 -167.21 26.04 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.453 1.096 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 36.1 t -144.57 73.89 15.35 Favored Pre-proline 0 C--N 1.325 -0.467 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.552 ' O ' HD21 ' A' ' 51' ' ' LEU . 62.2 Cg_endo -69.78 179.97 3.34 Favored 'Trans proline' 0 C--N 1.325 -0.7 0 C-N-CA 124.204 3.269 . . . . 0.0 110.83 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.405 ' HB2' ' NZ ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -112.39 140.29 47.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.834 HG13 HD22 ' A' ' 51' ' ' LEU . 12.3 m -114.48 162.05 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.472 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 19.6 mtmm -86.54 170.13 13.29 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.081 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.472 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 51.8 Cg_exo -58.91 134.53 60.8 Favored 'Trans proline' 0 C--N 1.326 -0.657 0 C-N-CA 124.326 3.351 . . . . 0.0 109.89 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.13 -35.31 5.04 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.434 1.084 . . . . 0.0 111.046 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.539 HG11 ' HD3' ' A' ' 26' ' ' LYS . 2.5 t -82.38 145.76 8.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.45 0.735 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.607 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 51.8 m-80 -100.31 142.46 31.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.834 HD22 HG13 ' A' ' 45' ' ' VAL . 43.1 tp -142.06 140.61 32.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.446 ' H ' HD12 ' A' ' 51' ' ' LEU . 2.0 t-20 -138.69 118.04 12.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 62.9 m -108.98 144.74 36.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 108.321 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 p -153.7 163.94 39.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 108.31 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.496 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 14.8 mtm-85 -111.86 45.9 1.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.566 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -132.68 144.22 50.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 0.0 110.386 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.416 ' OD1' HD12 ' A' ' 1' ' ' LEU . 20.6 m-20 -61.22 140.16 57.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.429 ' NE ' HG21 ' A' ' 14' ' ' THR . 13.8 mtt180 41.39 38.19 0.78 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.566 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 17.8 p -86.95 -22.58 25.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 108.284 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.476 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 20.6 p-10 -95.41 48.65 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.489 ' OXT' ' CZ ' ' A' ' 38' ' ' ARG . 20.2 p-10 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 117.005 -1.474 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.437 HD12 ' OD1' ' A' ' 57' ' ' ASP . 15.1 tp . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -109.03 145.31 35.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.124 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 9.3 m -136.75 136.87 39.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 108.302 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.572 ' CD2' ' HB2' ' A' ' 61' ' ' ASN . 31.4 m-70 -61.9 150.01 38.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.564 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.445 ' O ' ' OD1' ' A' ' 5' ' ' ASN . 7.7 p30 -135.31 16.91 3.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.423 ' HB3' ' HA ' ' A' ' 12' ' ' PRO . 1.2 pt20 -63.18 142.12 58.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.554 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 0.1 OUTLIER -107.75 132.98 52.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.117 . . . . 0.0 110.297 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.6 m 47.77 -135.18 1.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.6 m -88.03 8.88 24.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.022 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.65 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 8.8 mm100 -58.98 170.14 0.94 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.65 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.8 Cg_exo -58.89 127.68 25.24 Favored 'Trans proline' 0 C--N 1.325 -0.692 0 C-N-CA 124.351 3.368 . . . . 0.0 109.889 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.8 Cg_exo -58.92 125.37 18.0 Favored 'Trans proline' 0 C--N 1.325 -0.683 0 C-N-CA 124.326 3.351 . . . . 0.0 109.844 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.468 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.0 p -131.08 174.26 10.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.413 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -143.49 156.79 44.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.42 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -145.44 149.01 33.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.7 m -77.37 133.72 38.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.4 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 1.124 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.8 m -87.34 121.86 30.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 108.34 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.7 t -103.17 116.4 32.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.967 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.06 -9.63 24.42 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.455 1.097 . . . . 0.0 110.972 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.496 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 15.2 mt-10 -103.65 157.47 17.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 0.778 . . . . 0.0 110.277 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.5 p -136.55 15.51 3.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 110.38 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.498 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 23.7 m-80 -134.73 155.24 50.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.485 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 57.5 m -117.55 138.66 51.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 108.354 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.701 ' HB2' HD11 ' A' ' 51' ' ' LEU . 12.6 p90 -117.97 149.67 40.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.575 ' HE3' ' CZ3' ' A' ' 27' ' ' TRP . 15.1 ttpt -134.85 117.95 16.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.55 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 2.3 ttmp? -109.11 142.27 40.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.595 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 23.3 p90 -159.99 145.15 15.13 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.629 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 37.0 p90 -161.11 170.88 19.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 107.991 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.3 t -104.98 152.67 22.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.99 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.482 ' OD1' ' CD1' ' A' ' 28' ' ' TRP . 0.8 OUTLIER -146.17 167.0 24.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -67.33 -10.41 50.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.636 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -102.46 -28.37 12.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.3 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 154.87 -174.94 33.08 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.9 m -84.8 116.57 23.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 0.734 . . . . 0.0 110.366 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.629 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 13.5 mt -92.61 135.84 26.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.516 HG21 ' NH2' ' A' ' 38' ' ' ARG . 8.0 mt -129.84 123.83 57.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -127.82 114.56 17.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.516 ' NH2' HG21 ' A' ' 36' ' ' ILE . 37.7 mtt-85 -118.05 160.95 20.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.673 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -177.31 -179.31 47.54 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.535 1.147 . . . . 0.0 111.026 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.414 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 18.7 m -84.13 151.1 25.1 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.26 -166.39 25.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.11 . . . . 0.0 110.973 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 36.8 t -144.24 73.79 15.96 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.615 ' O ' HD21 ' A' ' 51' ' ' LEU . 61.5 Cg_endo -69.82 -179.35 2.88 Favored 'Trans proline' 0 C--N 1.326 -0.658 0 C-N-CA 124.219 3.279 . . . . 0.0 110.838 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.1 tttp -114.24 140.8 48.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.356 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.814 HG13 HD22 ' A' ' 51' ' ' LEU . 16.7 m -114.03 162.99 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.467 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 13.2 mtmt -85.82 169.92 14.34 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.467 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 51.7 Cg_exo -58.89 134.02 57.5 Favored 'Trans proline' 0 C--N 1.325 -0.707 0 C-N-CA 124.402 3.401 . . . . 0.0 109.838 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.27 -35.3 5.05 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.577 1.173 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.446 HG13 ' CE3' ' A' ' 28' ' ' TRP . 2.5 t -82.16 145.85 8.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 0.792 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.595 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 51.6 m-80 -99.66 143.92 29.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.814 HD22 HG13 ' A' ' 45' ' ' VAL . 39.2 tp -144.32 139.72 28.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.456 ' H ' HD12 ' A' ' 51' ' ' LEU . 26.8 t-20 -138.69 120.93 15.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 60.7 m -109.79 145.72 36.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 108.337 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 p -153.79 163.4 40.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 108.328 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.498 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 44.5 mtm180 -112.02 46.04 1.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.564 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -132.92 144.18 49.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.163 . . . . 0.0 110.408 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.437 ' OD1' HD12 ' A' ' 1' ' ' LEU . 19.3 m-20 -61.38 140.03 58.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.9 mtt85 41.43 38.25 0.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.332 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.564 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 18.8 p -86.59 -21.36 26.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.163 . . . . 0.0 108.268 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.485 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 24.7 p-10 -94.71 44.8 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.572 ' HB2' ' CD2' ' A' ' 4' ' ' HIS . 10.1 t-20 . . . . . 0 C--O 1.25 1.127 0 CA-C-O 117.027 -1.463 . . . . 0.0 109.248 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.434 HD12 ' OD1' ' A' ' 57' ' ' ASP . 13.3 tp . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -108.8 145.17 35.64 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.139 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 11.7 m -137.69 137.29 38.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 108.268 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.516 ' HA ' ' O ' ' A' ' 13' ' ' THR . 38.7 m-70 -62.64 135.39 57.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.642 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.428 ' OD1' ' C ' ' A' ' 5' ' ' ASN . 6.2 p30 -116.24 13.72 15.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.468 ' O ' ' NH1' ' A' ' 38' ' ' ARG . 3.2 pt20 -74.92 131.96 41.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.446 ' HA ' ' O ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -108.5 154.38 22.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.316 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.7 m 54.54 -133.26 1.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.02 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.407 ' O ' ' O ' ' A' ' 10' ' ' GLN . 3.5 m -102.76 -2.07 28.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.003 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.627 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 38.0 mm-40 -44.61 169.6 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.627 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.7 Cg_exo -58.88 135.52 67.39 Favored 'Trans proline' 0 C--N 1.325 -0.683 0 C-N-CA 124.364 3.376 . . . . 0.0 109.855 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.499 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.8 Cg_exo -58.91 127.15 23.29 Favored 'Trans proline' 0 C--N 1.325 -0.703 0 C-N-CA 124.342 3.362 . . . . 0.0 109.87 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.516 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.0 p -132.59 173.42 11.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.41 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 p -145.39 158.23 43.87 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.547 1.154 . . . . 0.0 110.462 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.0 tptt -149.54 148.5 29.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.4 m -77.98 128.76 34.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.399 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 1.139 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -81.97 122.09 27.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 108.283 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 34.1 p -102.78 116.52 32.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 109.932 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.32 -10.31 22.6 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.508 1.13 . . . . 0.0 111.058 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.493 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 15.3 mt-10 -103.7 159.18 15.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 0.743 . . . . 0.0 110.278 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.0 p -138.33 15.68 2.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.381 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.501 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 23.0 m-80 -134.81 155.68 50.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.473 ' O ' ' HA ' ' A' ' 53' ' ' CYS . 43.4 m -117.39 136.55 53.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 108.292 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.652 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 13.9 p90 -116.07 153.48 31.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.428 1.08 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.491 ' HG3' ' CD ' ' A' ' 38' ' ' ARG . 0.1 OUTLIER -140.88 117.5 10.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.596 ' HG2' HD13 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -109.35 143.53 38.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.24 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.586 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 25.0 p90 -160.28 144.58 14.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 108.024 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.62 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 30.0 p90 -159.62 170.58 21.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 108.021 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 61.1 m -105.14 151.74 23.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.965 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -145.61 166.5 25.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 21.1 t-160 -67.57 -9.88 46.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.585 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -102.58 -28.33 12.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 154.85 -174.9 33.07 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.8 m -86.13 116.03 24.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 0.763 . . . . 0.0 110.375 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.62 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 17.1 mt -93.08 134.86 29.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.543 HG23 ' HB3' ' A' ' 27' ' ' TRP . 6.1 mt -129.92 127.84 64.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -131.3 113.31 13.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.326 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.491 ' CD ' ' HG3' ' A' ' 25' ' ' LYS . 20.2 mtt85 -118.02 160.32 21.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.652 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -178.12 -175.92 45.66 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.476 1.11 . . . . 0.0 111.025 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.417 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 19.8 m -85.25 151.91 23.71 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.405 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 95.64 -166.68 25.32 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 38.1 t -146.12 74.47 13.08 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.602 ' O ' HD21 ' A' ' 51' ' ' LEU . 61.4 Cg_endo -69.88 -179.48 3.0 Favored 'Trans proline' 0 C--N 1.326 -0.655 0 C-N-CA 124.181 3.254 . . . . 0.0 110.809 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.8 mtpp -113.77 140.39 48.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.852 HG13 HD22 ' A' ' 51' ' ' LEU . 13.8 m -113.92 162.17 12.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.473 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 13.5 mtpt -85.95 170.05 13.92 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.473 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 52.0 Cg_exo -58.91 133.95 56.99 Favored 'Trans proline' 0 C--N 1.325 -0.664 0 C-N-CA 124.34 3.36 . . . . 0.0 109.861 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.17 -35.37 4.99 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.547 1.154 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.6 t -81.54 147.05 6.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.481 0.754 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.586 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 53.0 m-80 -100.74 143.75 30.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.852 HD22 HG13 ' A' ' 45' ' ' VAL . 24.1 tp -144.27 140.23 29.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.582 ' H ' HD12 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -138.96 121.16 15.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.473 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 62.8 m -111.7 145.08 39.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 108.264 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.5 p -151.98 162.98 40.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 108.289 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.501 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 52.6 mtm180 -112.41 46.25 1.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.272 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.557 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -133.37 144.44 49.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.37 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.434 ' OD1' HD12 ' A' ' 1' ' ' LEU . 19.5 m-20 -61.24 140.01 58.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.33 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.434 ' O ' ' ND2' ' A' ' 61' ' ' ASN . 19.8 mtt85 41.02 38.57 0.71 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.321 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.557 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 20.2 p -86.11 -23.43 26.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 108.301 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.473 ' O ' ' CD ' ' A' ' 38' ' ' ARG . 25.7 p-10 -95.45 48.55 1.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.457 ' O ' ' CZ ' ' A' ' 38' ' ' ARG . 15.4 m-80 . . . . . 0 C--O 1.25 1.094 0 CA-C-O 116.966 -1.493 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.416 HD12 ' OD1' ' A' ' 57' ' ' ASP . 12.7 tp . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -112.54 145.77 39.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.036 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 16.3 m -137.24 137.32 38.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 108.297 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.519 ' HA ' ' O ' ' A' ' 13' ' ' THR . 32.7 m-70 -60.45 141.9 55.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.575 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.438 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 4.0 p-10 -124.98 15.12 8.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -73.8 144.46 45.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.506 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 30.6 tt0 -106.66 149.4 27.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 7' ' ' GLN . 3.2 m 38.53 -136.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.991 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 61.3 m -86.47 9.44 18.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.975 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.615 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 28.0 mm-40 -53.82 169.53 0.34 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 110.323 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.615 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.6 Cg_exo -58.91 127.08 23.04 Favored 'Trans proline' 0 C--N 1.325 -0.698 0 C-N-CA 124.298 3.332 . . . . 0.0 109.926 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.507 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.9 Cg_exo -58.88 120.57 8.52 Favored 'Trans proline' 0 C--N 1.325 -0.685 0 C-N-CA 124.325 3.35 . . . . 0.0 109.877 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.519 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.1 p -131.53 174.81 9.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.4 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.451 HG21 ' NE ' ' A' ' 58' ' ' ARG . 2.1 p -145.24 157.94 43.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.383 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 56.0 tttt -147.27 149.18 32.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.8 m -77.34 129.8 36.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.419 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 1.036 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -82.36 122.22 27.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 108.334 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.0 p -102.54 116.2 32.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 109.969 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.89 -10.7 24.48 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.499 1.125 . . . . 0.0 111.043 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.495 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 6.7 mt-10 -103.58 160.52 14.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 0.759 . . . . 0.0 110.281 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.7 p -139.72 15.65 2.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.368 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.502 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 23.1 m-80 -135.11 155.9 49.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.492 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 33.7 m -117.17 136.81 52.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 108.304 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.59 ' HB2' HD11 ' A' ' 51' ' ' LEU . 12.4 p90 -117.25 152.25 35.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 111.028 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.426 ' NZ ' ' HB3' ' A' ' 25' ' ' LYS . 3.8 ttpm? -143.97 115.9 8.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.587 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -110.15 143.22 40.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.625 ' HB3' HG23 ' A' ' 36' ' ' ILE . 35.0 p90 -154.32 147.4 24.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 108.006 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.61 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 28.4 p90 -159.32 169.68 23.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 108.022 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.7 p -105.42 137.99 42.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.002 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.534 ' OD1' ' CD1' ' A' ' 28' ' ' TRP . 0.9 OUTLIER -129.34 165.5 21.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 -66.25 -10.64 44.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.585 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 62.4 mtm180 -102.38 -28.32 12.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.143 . . . . 0.0 110.279 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 154.64 176.2 26.64 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.539 1.149 . . . . 0.0 110.946 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.1 m -75.7 116.48 16.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 0.768 . . . . 0.0 110.444 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.61 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 17.8 mt -93.81 136.91 24.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.625 HG23 ' HB3' ' A' ' 27' ' ' TRP . 5.4 mt -134.95 129.2 50.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.482 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 7.8 tt0 -130.22 116.31 18.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.479 ' CZ ' ' O ' ' A' ' 61' ' ' ASN . 29.2 mtt-85 -113.4 152.68 29.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.579 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -172.77 -179.35 43.47 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.518 1.136 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.401 ' C ' ' OE1' ' A' ' 20' ' ' GLU . 22.3 m -86.22 153.31 22.11 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.41 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 96.17 -165.62 24.12 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.571 1.169 . . . . 0.0 111.02 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 38.0 t -148.0 73.88 11.13 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.57 ' HD2' ' CB ' ' A' ' 24' ' ' TYR . 61.6 Cg_endo -69.82 -178.93 2.6 Favored 'Trans proline' 0 C--N 1.325 -0.69 0 C-N-CA 124.16 3.24 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.0 tmtt? -114.89 140.86 48.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.25 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.785 HG13 HD22 ' A' ' 51' ' ' LEU . 18.0 m -113.76 163.47 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.466 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 24.4 mttt -85.35 169.31 16.45 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.252 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.466 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 51.7 Cg_exo -58.89 133.79 55.98 Favored 'Trans proline' 0 C--N 1.325 -0.671 0 C-N-CA 124.355 3.37 . . . . 0.0 109.885 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.12 -35.24 5.08 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.506 1.129 . . . . 0.0 110.997 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.8 t -81.6 146.05 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.537 0.786 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.587 ' O ' ' HA ' ' A' ' 26' ' ' LYS . 60.1 m-80 -98.61 147.25 25.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.785 HD22 HG13 ' A' ' 45' ' ' VAL . 34.5 tp -147.83 140.82 24.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.24 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.518 ' H ' HD12 ' A' ' 51' ' ' LEU . 1.3 t30 -138.99 122.81 17.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.48 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 68.7 m -113.39 142.64 45.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 108.275 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.5 p -150.71 163.14 39.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 108.275 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.502 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 38.5 mtm180 -111.95 45.66 1.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.565 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -132.03 144.17 50.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.132 . . . . 0.0 110.397 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.416 ' OD1' HD12 ' A' ' 1' ' ' LEU . 19.7 m-20 -61.39 140.12 58.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.451 ' NE ' HG21 ' A' ' 14' ' ' THR . 15.5 mtt180 41.62 38.0 0.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.565 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 17.7 p -86.91 -22.98 25.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 108.296 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.492 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 24.7 p-10 -95.29 47.78 1.14 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.479 ' O ' ' CZ ' ' A' ' 38' ' ' ARG . 1.8 m120 . . . . . 0 C--O 1.25 1.084 0 CA-C-O 116.979 -1.486 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.432 HD12 ' OD1' ' A' ' 57' ' ' ASP . 13.0 tp . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -108.18 145.65 33.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.121 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 12.6 m -137.27 137.33 38.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 108.306 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.618 ' CD2' ' CB ' ' A' ' 61' ' ' ASN . 31.2 m-70 -63.23 134.9 56.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.564 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.436 ' OD1' ' C ' ' A' ' 5' ' ' ASN . 5.4 p30 -116.91 11.57 14.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.504 ' OE1' ' CZ ' ' A' ' 38' ' ' ARG . 0.2 OUTLIER -64.62 141.63 58.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.262 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.436 ' O ' ' HG2' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -106.62 156.88 18.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.248 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 7' ' ' GLN . 14.6 m 36.62 -128.67 0.14 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.004 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.9 p -97.22 1.22 49.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.99 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.597 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 36.9 mm-40 -44.42 168.26 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.256 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.597 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.8 Cg_exo -58.9 143.38 99.48 Favored 'Trans proline' 0 C--N 1.326 -0.63 0 C-N-CA 124.328 3.352 . . . . 0.0 109.865 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.7 Cg_exo -58.87 124.15 15.08 Favored 'Trans proline' 0 C--N 1.326 -0.648 0 C-N-CA 124.359 3.373 . . . . 0.0 109.881 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.533 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 1.9 p -131.1 169.33 16.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 110.404 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -146.17 158.31 43.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.368 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.43 ' HE3' ' CB ' ' A' ' 5' ' ' ASN . 8.8 ptpt -149.94 148.25 28.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.2 m -78.01 133.33 38.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 110.436 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 1.121 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.8 m -88.14 121.84 31.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 108.306 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.2 p -102.9 116.56 32.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.005 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.65 -10.13 25.85 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.502 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 7.0 mt-10 -103.52 160.16 14.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 0.762 . . . . 0.0 110.255 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.1 p -139.39 15.88 2.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.437 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.503 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 22.5 m-80 -134.72 154.94 51.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.346 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.487 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 53.0 m -117.03 137.17 52.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 108.323 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.662 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 12.2 p90 -117.2 153.31 33.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.472 ' HG2' ' CE3' ' A' ' 27' ' ' TRP . 13.3 ttpp -139.72 117.49 11.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.579 ' HG2' HD13 ' A' ' 51' ' ' LEU . 10.3 mtmt -109.41 140.9 42.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.581 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 28.1 p90 -158.61 144.45 16.76 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.578 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 36.5 p90 -161.39 170.97 19.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 108.017 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.1 p -103.18 153.29 20.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.975 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -146.64 166.78 25.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 42.2 m170 -67.22 -11.3 57.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.573 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.5 mmt-85 -102.58 -28.21 12.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.276 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.85 -174.88 33.79 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.5 m -84.9 112.87 20.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 0.787 . . . . 0.0 110.389 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.578 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 12.0 mt -88.48 131.49 35.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.58 HG23 ' HB3' ' A' ' 27' ' ' TRP . 8.6 mt -128.62 121.35 54.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -128.0 114.95 17.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.271 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.504 ' CZ ' ' OE1' ' A' ' 6' ' ' GLN . 11.8 mtt180 -121.79 160.65 24.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.313 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.662 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -175.89 -173.93 42.0 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.2 m -84.0 151.45 25.0 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.401 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 95.78 -166.04 24.81 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.528 1.142 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 37.3 t -145.95 74.03 13.38 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.642 ' O ' HD21 ' A' ' 51' ' ' LEU . 61.5 Cg_endo -69.8 -179.52 2.99 Favored 'Trans proline' 0 C--N 1.325 -0.706 0 C-N-CA 124.225 3.283 . . . . 0.0 110.812 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -115.06 140.41 49.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.343 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.806 HG13 HD22 ' A' ' 51' ' ' LEU . 18.1 m -113.82 163.39 11.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.103 . . . . 0.0 109.335 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.474 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 3.5 mtmt -85.49 169.99 14.39 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.474 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 51.7 Cg_exo -58.85 133.77 55.96 Favored 'Trans proline' 0 C--N 1.325 -0.662 0 C-N-CA 124.346 3.364 . . . . 0.0 109.898 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.29 -35.13 5.17 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.535 1.147 . . . . 0.0 111.038 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.493 HG13 ' CE3' ' A' ' 28' ' ' TRP . 2.6 t -81.36 145.98 8.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.523 0.778 . . . . 0.0 109.336 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.581 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 52.5 m-80 -98.79 143.83 28.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.806 HD22 HG13 ' A' ' 45' ' ' VAL . 21.1 tp -144.43 138.96 28.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.565 ' H ' HD12 ' A' ' 51' ' ' LEU . 15.9 t-20 -138.39 120.78 15.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.48 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 65.0 m -111.56 145.48 39.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 108.305 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 p -152.86 163.19 40.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 108.345 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.503 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 14.1 mtm-85 -112.18 46.1 1.2 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.427 1.079 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.554 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -133.45 144.26 49.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.401 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.432 ' OD1' HD12 ' A' ' 1' ' ' LEU . 19.9 m-20 -61.47 140.21 58.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 29.2 mtt85 41.25 38.59 0.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.554 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 19.9 p -86.38 -23.93 25.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 108.32 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.487 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 25.6 p-10 -94.31 42.97 1.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.618 ' CB ' ' CD2' ' A' ' 4' ' ' HIS . 1.6 p-10 . . . . . 0 C--O 1.251 1.132 0 CA-C-O 116.997 -1.478 . . . . 0.0 109.355 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.429 HD12 ' OD1' ' A' ' 57' ' ' ASP . 12.6 tp . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -108.12 145.03 34.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.087 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 16.0 m -137.16 136.94 38.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 108.299 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.631 ' CD2' ' CB ' ' A' ' 61' ' ' ASN . 30.7 m-70 -62.47 143.49 57.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.617 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.448 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 3.7 p-10 -126.4 16.27 7.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.461 ' OE1' ' NH1' ' A' ' 38' ' ' ARG . 2.6 pt20 -64.5 134.44 54.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.303 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.49 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 25.5 mm-40 -106.56 142.36 36.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.323 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.3 m 47.35 -135.48 0.97 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 110.035 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 m -94.86 20.41 8.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.998 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.639 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 33.5 mt-30 -68.15 169.74 9.33 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 110.324 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.639 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.9 Cg_exo -58.82 131.42 41.9 Favored 'Trans proline' 0 C--N 1.325 -0.702 0 C-N-CA 124.401 3.401 . . . . 0.0 109.872 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.7 Cg_exo -58.89 123.61 13.89 Favored 'Trans proline' 0 C--N 1.325 -0.696 0 C-N-CA 124.356 3.37 . . . . 0.0 109.876 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.477 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.1 p -131.82 174.53 10.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 110.396 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -143.09 157.69 44.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.401 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -147.67 149.41 32.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.6 m -77.08 136.44 38.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.163 . . . . 0.0 110.397 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 1.087 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 4.0 m -91.14 121.99 33.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 108.298 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.7 t -102.95 116.27 32.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.992 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 78.4 -11.03 26.31 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.139 . . . . 0.0 110.978 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.493 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 8.6 mt-10 -103.42 159.38 15.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 0.767 . . . . 0.0 110.263 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.1 p -139.15 15.97 2.62 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.502 1.126 . . . . 0.0 110.383 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.503 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 21.5 m-80 -134.76 154.87 51.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.486 ' O ' ' HA ' ' A' ' 53' ' ' CYS . 38.7 m -117.02 136.44 52.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 108.306 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.69 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 13.4 p90 -115.53 152.1 33.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.574 1.171 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.544 ' HG2' ' CE3' ' A' ' 27' ' ' TRP . 25.9 ttpt -136.66 116.57 13.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.65 ' HG3' HG11 ' A' ' 45' ' ' VAL . 2.1 ttmm -109.66 140.57 43.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.605 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 25.5 p90 -160.45 143.15 13.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 107.985 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.593 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 37.5 p90 -158.74 170.78 21.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 108.012 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.0 t -105.09 154.18 20.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.994 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -147.96 166.44 27.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -67.38 -10.78 54.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.594 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? -102.51 -28.16 12.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 156.14 -174.85 34.0 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.1 m -88.14 114.16 24.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 0.787 . . . . 0.0 110.41 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.593 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 17.5 mt -89.57 134.14 29.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.504 HG23 ' HB3' ' A' ' 27' ' ' TRP . 7.7 mt -128.09 121.32 55.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.403 ' O ' ' HB3' ' A' ' 26' ' ' LYS . 20.9 tt0 -129.09 113.58 15.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.267 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.528 ' NE ' ' CD ' ' A' ' 25' ' ' LYS . 61.3 mtt180 -126.84 160.36 31.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.69 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -174.76 -169.3 36.56 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.464 1.103 . . . . 0.0 110.966 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 22.7 m -84.4 150.8 25.09 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.74 -167.37 25.62 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.522 1.139 . . . . 0.0 111.049 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 37.2 t -145.81 75.19 13.27 Favored Pre-proline 0 C--N 1.325 -0.5 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.589 ' O ' HD21 ' A' ' 51' ' ' LEU . 61.5 Cg_endo -69.86 179.76 3.53 Favored 'Trans proline' 0 C--N 1.326 -0.651 0 C-N-CA 124.182 3.255 . . . . 0.0 110.808 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -114.85 139.06 50.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.703 HG13 HD22 ' A' ' 51' ' ' LEU . 18.5 m -114.72 164.0 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.486 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 20.3 mtmt -86.45 170.68 11.88 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.486 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 51.9 Cg_exo -58.94 134.61 61.2 Favored 'Trans proline' 0 C--N 1.324 -0.72 0 C-N-CA 124.379 3.386 . . . . 0.0 109.855 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.48 -35.35 5.03 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.5 t -80.81 144.82 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 0.764 . . . . 0.0 109.287 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.605 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 52.5 m-80 -98.63 139.18 34.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.703 HD22 HG13 ' A' ' 45' ' ' VAL . 22.2 tp -139.76 139.88 36.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.58 ' H ' HD12 ' A' ' 51' ' ' LEU . 5.0 t30 -138.72 117.61 12.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.486 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 70.0 m -110.32 145.06 38.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 108.305 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 p -153.04 163.36 39.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 108.27 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.503 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 40.6 mtt180 -112.35 46.18 1.2 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 110.331 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.552 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -133.7 144.27 49.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.415 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.429 ' OD1' HD12 ' A' ' 1' ' ' LEU . 19.9 m-20 -61.37 140.05 58.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.272 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 41.18 38.91 0.82 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.552 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 20.4 p -86.48 -24.53 25.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 108.255 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.482 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 25.2 p-10 -94.37 43.23 1.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.128 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.631 ' CB ' ' CD2' ' A' ' 4' ' ' HIS . 2.3 p30 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 117.021 -1.466 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.421 HD12 ' OD1' ' A' ' 57' ' ' ASP . 12.5 tp . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -110.45 145.3 37.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.306 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.096 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 13.4 m -137.51 137.35 38.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 108.27 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.514 ' HA ' ' O ' ' A' ' 13' ' ' THR . 35.6 m-70 -61.82 136.56 58.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.621 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.435 ' OD1' ' C ' ' A' ' 5' ' ' ASN . 5.4 p30 -118.11 11.71 13.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 0.0 109.244 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.415 ' HG3' ' HD2' ' A' ' 38' ' ' ARG . 2.9 pt20 -72.49 142.6 48.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.578 1.174 . . . . 0.0 110.315 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.465 ' O ' ' C ' ' A' ' 8' ' ' SER . 2.4 pt20 -106.72 160.12 15.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.465 ' C ' ' O ' ' A' ' 7' ' ' GLN . 3.7 m 34.58 -135.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.989 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 10' ' ' GLN . 3.2 m -90.48 0.03 57.48 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.494 1.121 . . . . 0.0 109.991 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.6 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 38.6 mm-40 -44.26 169.2 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.6 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.6 Cg_exo -58.93 130.72 37.96 Favored 'Trans proline' 0 C--N 1.325 -0.68 0 C-N-CA 124.314 3.343 . . . . 0.0 109.89 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.484 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.9 Cg_exo -58.87 124.8 16.51 Favored 'Trans proline' 0 C--N 1.325 -0.677 0 C-N-CA 124.337 3.358 . . . . 0.0 109.867 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.514 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.0 p -132.79 174.09 10.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.414 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 p -145.31 158.37 43.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.4 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -149.3 148.64 29.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.4 m -77.9 129.16 35.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.391 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 1.096 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 4.0 m -81.03 122.04 26.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 108.287 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.51 116.12 31.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.974 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.43 -10.58 21.91 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.492 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 15.3 mt-10 -103.57 162.07 13.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 0.786 . . . . 0.0 110.328 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.8 p -140.95 15.58 2.28 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.488 1.117 . . . . 0.0 110.379 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.507 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 21.8 m-80 -135.06 156.25 49.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.487 ' O ' ' HA ' ' A' ' 53' ' ' CYS . 36.4 m -117.01 136.61 52.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.163 . . . . 0.0 108.337 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.59 ' HB2' HD11 ' A' ' 51' ' ' LEU . 12.6 p90 -117.13 151.53 36.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.975 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.407 ' HB3' ' NZ ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -142.37 114.99 8.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.603 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 2.2 pttm -110.31 141.56 43.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.679 ' HB3' HG23 ' A' ' 36' ' ' ILE . 36.4 p90 -153.41 147.33 25.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 108.044 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.61 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 26.9 p90 -159.12 169.49 24.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 107.963 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.8 t -105.41 137.51 43.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -128.6 165.84 20.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 109.342 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 27.6 p-80 -66.53 -10.49 45.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.609 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.2 ttm180 -102.34 -28.36 12.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.558 1.161 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 154.67 176.17 26.63 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.7 m -75.06 116.45 15.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 0.742 . . . . 0.0 110.389 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.61 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 17.0 mt -94.72 134.26 32.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.679 HG23 ' HB3' ' A' ' 27' ' ' TRP . 5.8 mt -133.21 128.98 56.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.469 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 79.5 mm-40 -130.08 115.68 17.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.415 ' HD2' ' HG3' ' A' ' 6' ' ' GLN . 23.6 mtt85 -113.3 152.18 30.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.575 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -172.27 -179.19 42.98 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.524 1.14 . . . . 0.0 111.008 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.44 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 21.6 m -85.34 153.39 22.58 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.41 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 96.25 -166.13 24.27 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.483 1.115 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.401 ' HA ' ' HB3' ' A' ' 24' ' ' TYR . 39.0 t -147.96 74.07 11.14 Favored Pre-proline 0 C--N 1.326 -0.451 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.568 ' HD2' ' CB ' ' A' ' 24' ' ' TYR . 61.6 Cg_endo -69.83 -179.19 2.77 Favored 'Trans proline' 0 C--N 1.325 -0.672 0 C-N-CA 124.199 3.266 . . . . 0.0 110.851 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.3 mptt -114.59 140.45 48.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.787 HG13 HD22 ' A' ' 51' ' ' LEU . 17.7 m -113.75 163.45 10.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.471 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 8.6 mtpp -85.47 169.47 15.9 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.471 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 51.7 Cg_exo -58.89 133.72 55.56 Favored 'Trans proline' 0 C--N 1.325 -0.707 0 C-N-CA 124.377 3.384 . . . . 0.0 109.932 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.19 -35.26 5.07 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.8 t -81.19 145.6 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.46 0.741 . . . . 0.0 109.283 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.603 ' O ' ' HA ' ' A' ' 26' ' ' LYS . 61.1 m-80 -98.14 146.44 25.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.787 HD22 HG13 ' A' ' 45' ' ' VAL . 31.2 tp -147.21 140.31 25.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.532 ' H ' HD12 ' A' ' 51' ' ' LEU . 10.7 t30 -138.68 121.75 16.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.347 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.487 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 75.9 m -113.06 143.16 44.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 108.299 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.5 p -150.85 163.26 39.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 108.328 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.507 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 15.5 mtm-85 -112.27 45.92 1.23 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.56 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -133.0 144.34 50.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 110.402 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.421 ' OD1' HD12 ' A' ' 1' ' ' LEU . 19.8 m-20 -61.36 140.26 58.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.567 1.167 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.7 mtt85 41.31 38.11 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.56 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 19.1 p -86.4 -23.42 26.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 108.331 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.484 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 25.5 p-10 -95.26 47.96 1.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.5 p30 . . . . . 0 C--O 1.25 1.092 0 CA-C-O 117.01 -1.471 . . . . 0.0 109.326 179.981 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.436 HD12 ' OD1' ' A' ' 57' ' ' ASP . 14.9 tp . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.522 ' OE2' HG23 ' A' ' 16' ' ' THR . 46.9 mm-40 -108.39 144.61 35.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.334 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.091 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 13.9 m -137.18 137.06 38.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 108.283 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.504 ' CG ' ' HA ' ' A' ' 61' ' ' ASN . 31.7 m-70 -63.04 145.18 56.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.616 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.452 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 4.0 p-10 -127.46 16.6 7.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.133 . . . . 0.0 109.362 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.405 ' OE1' ' O ' ' A' ' 61' ' ' ASN . 2.4 pt20 -64.2 135.42 56.27 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.506 1.129 . . . . 0.0 110.316 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.554 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 33.8 tt0 -106.56 141.73 37.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.26 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.7 m 45.92 -134.94 0.82 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 110.003 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.6 p -93.94 20.64 7.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 109.978 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.625 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 6.0 mm100 -68.61 169.72 10.06 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 110.262 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.625 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.5 Cg_exo -58.91 130.79 38.34 Favored 'Trans proline' 0 C--N 1.325 -0.694 0 C-N-CA 124.332 3.355 . . . . 0.0 109.878 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.9 Cg_exo -58.85 123.23 13.07 Favored 'Trans proline' 0 C--N 1.325 -0.705 0 C-N-CA 124.386 3.391 . . . . 0.0 109.848 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.478 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.1 p -131.66 174.38 10.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.084 . . . . 0.0 110.415 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -143.62 157.19 44.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.38 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -146.95 149.43 33.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.522 HG23 ' OE2' ' A' ' 2' ' ' GLU . 3.6 m -76.98 134.06 38.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.362 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 1.091 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -88.15 122.11 31.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 108.265 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.1 m -103.02 116.45 32.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.991 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.56 -10.33 24.12 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.501 1.126 . . . . 0.0 110.972 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.493 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 9.2 mt-10 -103.55 158.8 16.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 0.764 . . . . 0.0 110.266 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.417 ' C ' ' CD2' ' A' ' 1' ' ' LEU . 7.3 p -138.64 15.96 2.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.395 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.5 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 22.7 m-80 -134.99 155.15 51.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.476 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 38.7 m -117.23 136.72 52.87 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 108.316 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.669 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 13.5 p90 -116.14 152.88 32.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.112 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.541 ' CE ' ' NH1' ' A' ' 38' ' ' ARG . 29.3 tttm -138.9 116.73 11.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.569 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 11.7 ttmt -109.48 142.24 40.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.588 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 24.0 p90 -159.98 144.96 15.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 108.015 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.618 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 39.3 p90 -160.93 170.98 19.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 107.992 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 t -105.05 153.01 22.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.991 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.445 ' OD1' ' CD1' ' A' ' 28' ' ' TRP . 1.4 m-20 -146.94 166.65 26.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -67.4 -10.55 52.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.584 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -102.44 -28.22 12.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.274 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.39 -174.94 33.46 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.1 m -86.33 114.63 23.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 0.782 . . . . 0.0 110.372 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.618 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 13.6 mt -90.19 134.76 28.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.549 HG21 ' NH2' ' A' ' 38' ' ' ARG . 7.8 mt -129.45 121.21 52.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -126.48 113.79 17.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.266 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.549 ' NH2' HG21 ' A' ' 36' ' ' ILE . 8.4 mtt180 -124.07 160.36 27.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 110.309 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.669 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -177.35 -172.95 42.42 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.121 . . . . 0.0 111.023 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 21.8 m -83.83 151.2 25.28 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.402 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 95.44 -167.43 26.06 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.484 1.115 . . . . 0.0 110.979 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 38.3 t -145.06 74.44 14.38 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.617 ' O ' HD21 ' A' ' 51' ' ' LEU . 61.9 Cg_endo -69.82 -179.59 3.04 Favored 'Trans proline' 0 C--N 1.325 -0.697 0 C-N-CA 124.243 3.295 . . . . 0.0 110.804 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -114.69 140.26 49.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.821 HG13 HD22 ' A' ' 51' ' ' LEU . 16.8 m -114.09 163.32 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.474 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 7.1 mtmm -85.76 170.06 14.03 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.474 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 51.6 Cg_exo -58.85 134.12 58.24 Favored 'Trans proline' 0 C--N 1.326 -0.64 0 C-N-CA 124.329 3.353 . . . . 0.0 109.865 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.13 -35.33 5.02 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.491 HG13 ' CE3' ' A' ' 28' ' ' TRP . 2.6 t -81.26 145.77 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.76 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.588 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 52.5 m-80 -98.93 143.16 29.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.821 HD22 HG13 ' A' ' 45' ' ' VAL . 28.6 tp -144.12 139.49 28.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.532 ' H ' HD12 ' A' ' 51' ' ' LEU . 11.8 t-20 -139.11 121.26 15.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.473 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 62.6 m -111.02 146.18 37.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 108.307 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.6 p -152.75 162.32 41.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 108.307 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.5 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 22.7 mtp85 -112.36 46.27 1.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 110.303 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.549 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -133.22 144.35 49.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.386 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.436 ' OD1' HD12 ' A' ' 1' ' ' LEU . 17.5 m-20 -61.34 139.21 58.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.453 ' O ' ' ND2' ' A' ' 61' ' ' ASN . 16.5 mtt85 41.48 39.82 1.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.33 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.549 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 21.7 p -87.01 -24.43 24.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 108.262 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.476 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 24.5 p-10 -95.1 46.54 1.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.338 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.504 ' HA ' ' CG ' ' A' ' 4' ' ' HIS . 1.6 m120 . . . . . 0 C--O 1.25 1.092 0 CA-C-O 117.022 -1.466 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.441 HD12 ' OD1' ' A' ' 57' ' ' ASP . 13.0 tp . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -108.04 144.28 35.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.078 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 18.3 m -137.03 136.77 38.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 108.312 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.639 ' CD2' ' CB ' ' A' ' 61' ' ' ASN . 27.2 m-70 -61.18 150.4 34.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.59 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.427 ' O ' ' OD1' ' A' ' 5' ' ' ASN . 7.8 p30 -134.07 16.3 3.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.54 ' NE2' ' NH2' ' A' ' 38' ' ' ARG . 0.7 OUTLIER -64.27 135.93 56.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.153 . . . . 0.0 110.307 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.55 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 7.1 mp0 -106.36 141.31 37.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.9 m 44.79 -135.76 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.024 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.5 p -92.42 20.46 6.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.996 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.618 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 22.6 mm-40 -69.74 169.89 11.31 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.344 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.618 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 52.0 Cg_exo -58.96 128.58 28.41 Favored 'Trans proline' 0 C--N 1.325 -0.7 0 C-N-CA 124.359 3.373 . . . . 0.0 109.86 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.8 Cg_exo -58.9 124.03 14.81 Favored 'Trans proline' 0 C--N 1.325 -0.687 0 C-N-CA 124.358 3.372 . . . . 0.0 109.858 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.472 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.1 p -131.49 174.32 10.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.372 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -142.4 157.03 45.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.398 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -146.21 149.33 33.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.7 m -77.22 132.92 38.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.383 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 1.078 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -85.83 121.93 29.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 108.336 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.3 m -102.73 116.21 32.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 109.999 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 76.82 -10.12 20.37 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.472 1.108 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.478 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 13.1 mt-10 -103.76 159.45 15.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 0.757 . . . . 0.0 110.313 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.406 ' C ' ' CD2' ' A' ' 1' ' ' LEU . 7.3 p -138.9 16.14 2.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.371 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.505 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 21.7 m-80 -134.33 155.3 50.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.491 ' O ' ' HA ' ' A' ' 53' ' ' CYS . 36.6 m -116.86 136.53 52.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 108.305 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.659 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 13.3 p90 -116.4 153.3 32.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.975 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.48 ' CD ' ' HD3' ' A' ' 38' ' ' ARG . 6.5 ttpm? -140.41 115.81 10.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.581 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 15.0 ttpt -109.87 142.13 41.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.605 ' HB3' HG23 ' A' ' 36' ' ' ILE . 28.5 p90 -159.2 144.22 15.78 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.568 ' CE2' ' HB ' ' A' ' 35' ' ' ILE . 27.9 p90 -159.5 171.12 20.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 107.975 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 87.6 p -103.93 153.96 20.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.983 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -147.06 167.07 24.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.263 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.524 ' O ' ' CD2' ' A' ' 31' ' ' HIS . 9.7 t60 -67.63 -10.7 54.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 109.578 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 31.4 tpt180 -102.56 -28.28 12.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.6 -174.94 33.61 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.483 1.115 . . . . 0.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.8 m -85.24 113.75 21.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 0.785 . . . . 0.0 110.41 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.568 ' HB ' ' CE2' ' A' ' 28' ' ' TRP . 10.1 mt -90.07 133.17 32.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.605 HG23 ' HB3' ' A' ' 27' ' ' TRP . 6.5 mt -129.01 123.86 59.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.427 ' CA ' ' OE1' ' A' ' 37' ' ' GLU . 3.4 tp10 -129.85 113.94 15.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.54 ' NH2' ' NE2' ' A' ' 6' ' ' GLN . 11.6 mtm180 -123.22 160.34 26.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.27 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.659 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -176.61 -171.44 40.29 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.534 1.146 . . . . 0.0 110.953 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 21.2 m -84.66 151.6 24.35 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 96.18 -166.81 24.69 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 37.8 t -146.67 74.89 12.33 Favored Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.586 ' O ' HD21 ' A' ' 51' ' ' LEU . 61.5 Cg_endo -69.8 -179.56 3.02 Favored 'Trans proline' 0 C--N 1.326 -0.639 0 C-N-CA 124.193 3.262 . . . . 0.0 110.829 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -114.5 139.85 49.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.86 HG13 HD22 ' A' ' 51' ' ' LEU . 14.5 m -113.88 162.87 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.471 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 25.2 mtmt -85.75 169.59 15.33 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.471 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 51.8 Cg_exo -58.84 134.05 57.81 Favored 'Trans proline' 0 C--N 1.325 -0.658 0 C-N-CA 124.359 3.372 . . . . 0.0 109.882 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.07 -35.29 5.05 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.129 . . . . 0.0 110.975 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.478 HG12 ' HG3' ' A' ' 26' ' ' LYS . 3.0 t -80.05 148.77 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 0.749 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.583 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 55.1 m-80 -101.15 142.65 32.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.86 HD22 HG13 ' A' ' 45' ' ' VAL . 27.4 tp -144.74 139.5 27.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.537 ' H ' HD12 ' A' ' 51' ' ' LEU . 16.5 t-20 -138.76 120.34 15.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.491 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 69.3 m -111.59 144.7 40.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 108.286 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.5 p -152.01 163.29 39.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 108.326 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.505 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 41.7 mtp180 -112.58 46.24 1.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.258 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.555 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -133.54 144.45 49.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.382 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.441 ' OD1' HD12 ' A' ' 1' ' ' LEU . 18.9 m-20 -61.18 139.86 58.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.5 mtt180 40.93 38.91 0.73 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.555 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 20.7 p -86.0 -24.53 26.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 108.29 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.477 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 25.7 p-10 -94.0 41.85 1.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.346 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.639 ' CB ' ' CD2' ' A' ' 4' ' ' HIS . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.112 0 CA-C-O 116.99 -1.481 . . . . 0.0 109.259 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.427 HD12 ' OD1' ' A' ' 57' ' ' ASP . 13.3 tp . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -110.0 144.24 38.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.105 . . . . 0.0 110.279 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.142 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 10.1 m -137.56 137.55 38.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 108.27 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.542 ' CD2' ' CB ' ' A' ' 61' ' ' ASN . 29.7 m-70 -60.31 146.96 42.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.574 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.445 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 3.7 p-10 -130.94 15.38 5.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.525 ' NE2' ' NH2' ' A' ' 38' ' ' ARG . 4.6 pt20 -75.58 144.25 41.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 110.314 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.488 ' CG ' ' N ' ' A' ' 8' ' ' SER . 27.0 tt0 -106.28 159.1 16.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.265 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.488 ' N ' ' CG ' ' A' ' 7' ' ' GLN . 7.1 m 34.08 -131.5 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 110.042 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.3 m -93.56 -0.31 56.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.982 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.591 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 11.5 mt-30 -44.33 169.31 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.328 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.591 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.9 Cg_exo -58.9 126.13 20.24 Favored 'Trans proline' 0 C--N 1.325 -0.681 0 C-N-CA 124.351 3.367 . . . . 0.0 109.867 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.8 Cg_exo -58.86 126.2 20.47 Favored 'Trans proline' 0 C--N 1.325 -0.704 0 C-N-CA 124.363 3.375 . . . . 0.0 109.885 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.497 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.1 p -133.54 174.76 10.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.389 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 p -145.18 157.43 44.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.384 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.5 ptpt -148.09 149.27 31.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.338 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.9 m -77.22 126.92 31.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.38 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 1.142 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -79.62 122.22 26.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 108.312 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.4 t -102.43 116.56 32.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.977 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 78.88 -11.69 26.65 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.494 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 8.4 mt-10 -103.49 158.81 16.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 110.272 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.0 p -138.42 15.95 2.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 110.368 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.499 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 22.8 m-80 -135.12 155.05 51.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.466 ' O ' ' HA ' ' A' ' 53' ' ' CYS . 37.8 m -116.96 136.61 52.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 108.289 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.666 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 16.1 p90 -114.91 152.41 32.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.557 ' HG2' ' CE3' ' A' ' 27' ' ' TRP . 44.9 tttp -136.32 116.77 13.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.58 ' HD2' HG12 ' A' ' 45' ' ' VAL . 13.9 mtmm -109.8 140.76 43.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.6 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 24.5 p90 -160.54 144.13 13.65 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.627 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 34.1 p90 -159.87 171.14 19.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 107.982 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.9 t -104.63 154.01 20.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.979 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -147.49 166.58 26.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 37.9 m-70 -67.32 -10.6 52.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.57 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -102.55 -28.21 12.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.302 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.66 -174.93 33.65 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.529 1.143 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.2 m -85.7 113.04 21.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 0.758 . . . . 0.0 110.417 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.627 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 13.2 mt -88.69 131.95 34.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.471 ' O ' ' HA ' ' A' ' 7' ' ' GLN . 10.6 mt -126.38 123.31 63.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.443 ' OE2' ' NZ ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -132.55 114.29 14.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.525 ' NH2' ' NE2' ' A' ' 6' ' ' GLN . 12.2 mtm180 -126.64 160.61 30.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.666 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -173.22 -168.59 34.62 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.497 1.123 . . . . 0.0 111.014 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.0 m -85.41 151.33 24.07 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.403 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 95.45 -167.78 26.3 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.508 1.13 . . . . 0.0 110.966 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 36.7 t -145.25 74.18 14.21 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.658 ' O ' HD21 ' A' ' 51' ' ' LEU . 61.5 Cg_endo -69.82 -179.62 3.07 Favored 'Trans proline' 0 C--N 1.325 -0.706 0 C-N-CA 124.197 3.265 . . . . 0.0 110.825 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -113.81 140.79 48.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.831 HG13 HD22 ' A' ' 51' ' ' LEU . 14.4 m -114.28 161.6 12.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.479 ' HB3' ' CD ' ' A' ' 47' ' ' PRO . 10.2 mtpp -86.28 171.13 10.89 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.479 ' CD ' ' HB3' ' A' ' 46' ' ' LYS . 51.8 Cg_exo -58.92 133.03 50.99 Favored 'Trans proline' 0 C--N 1.324 -0.726 0 C-N-CA 124.306 3.337 . . . . 0.0 109.86 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.73 -35.34 5.05 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.5 t -81.28 146.85 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.562 0.801 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.6 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 52.2 m-80 -101.49 140.93 35.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.831 HD22 HG13 ' A' ' 45' ' ' VAL . 19.8 tp -141.07 140.15 34.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.611 ' H ' HD12 ' A' ' 51' ' ' LEU . 1.5 t-20 -139.38 119.64 13.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.338 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.466 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 61.5 m -110.12 146.06 36.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 108.312 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.5 p -153.42 162.65 41.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 108.347 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.499 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 39.0 mtt-85 -112.08 45.92 1.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.56 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -132.57 144.41 50.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.406 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.427 ' OD1' HD12 ' A' ' 1' ' ' LEU . 17.5 m-20 -61.12 139.35 58.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 40.83 39.47 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.257 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.56 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 21.2 p -86.11 -23.6 26.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 108.271 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.45 ' O ' ' NE ' ' A' ' 38' ' ' ARG . 28.1 p-10 -94.19 42.33 1.09 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.584 1.178 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.542 ' CB ' ' CD2' ' A' ' 4' ' ' HIS . 1.8 p-10 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 116.974 -1.489 . . . . 0.0 109.347 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.427 HD12 ' OD1' ' A' ' 57' ' ' ASP . 12.8 tp . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -110.46 145.08 38.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 110.289 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.132 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 12.1 m -137.39 137.23 38.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 108.364 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.516 ' HA ' ' O ' ' A' ' 13' ' ' THR . 36.6 m-70 -62.64 139.05 58.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.569 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.441 ' OD1' ' C ' ' A' ' 5' ' ' ASN . 4.4 p30 -120.22 9.41 11.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.45 ' O ' ' NH1' ' A' ' 38' ' ' ARG . 2.4 pt20 -67.32 141.94 56.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.452 ' O ' ' C ' ' A' ' 8' ' ' SER . 7.3 pt20 -106.66 157.43 17.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.267 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 7' ' ' GLN . 6.1 m 35.34 -133.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.997 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.3 m -91.32 -0.93 57.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.984 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.6 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 37.4 mm-40 -44.45 168.78 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.6 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.5 Cg_exo -58.82 129.33 31.63 Favored 'Trans proline' 0 C--N 1.325 -0.681 0 C-N-CA 124.362 3.375 . . . . 0.0 109.911 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.7 Cg_exo -58.88 125.25 17.67 Favored 'Trans proline' 0 C--N 1.325 -0.698 0 C-N-CA 124.351 3.367 . . . . 0.0 109.865 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.516 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.1 p -132.58 174.82 9.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.371 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -145.58 156.59 43.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.4 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.0 mmmt -147.15 148.84 31.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.583 1.177 . . . . 0.0 109.329 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.6 m -77.78 128.22 33.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.392 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 1.132 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -81.29 122.12 27.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 108.324 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.1 t -102.63 116.38 32.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.051 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 78.13 -10.7 26.13 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.493 1.121 . . . . 0.0 110.965 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.499 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 6.7 mt-10 -103.6 159.88 15.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 0.787 . . . . 0.0 110.307 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.1 p -139.12 15.96 2.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.412 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.504 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 21.0 m-80 -135.33 155.3 50.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.492 ' O ' ' HA ' ' A' ' 53' ' ' CYS . 39.8 m -116.96 136.2 53.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 108.298 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.611 ' CE2' ' C ' ' A' ' 39' ' ' GLY . 16.8 p90 -115.44 153.86 30.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 111.013 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.494 ' HG3' ' CD ' ' A' ' 38' ' ' ARG . 32.9 tttm -141.2 118.6 11.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.917 ' CD ' HD13 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -109.82 141.7 42.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.607 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 22.6 p90 -159.44 142.75 14.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 107.986 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.617 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 39.4 p90 -157.07 168.86 26.22 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.5 t -105.3 149.82 25.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 110.025 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -145.55 165.96 27.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 34.4 p-80 -68.0 -9.3 44.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.586 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -102.37 -28.19 12.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 154.96 -174.86 33.15 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.546 1.154 . . . . 0.0 110.967 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.0 m -89.84 113.59 25.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 0.766 . . . . 0.0 110.445 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.617 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 18.2 mt -89.89 133.64 31.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.494 HG23 ' HB3' ' A' ' 27' ' ' TRP . 7.7 mt -129.92 123.69 57.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -128.34 114.61 17.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 110.272 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.494 ' CD ' ' HG3' ' A' ' 25' ' ' LYS . 15.1 mtt85 -118.35 160.61 21.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.257 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.611 ' C ' ' CE2' ' A' ' 24' ' ' TYR . . . -177.59 -174.26 43.79 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.404 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 21.0 m -86.71 151.72 23.16 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.405 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 95.94 -167.19 25.23 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.478 1.111 . . . . 0.0 111.024 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.413 ' HA ' ' HB3' ' A' ' 24' ' ' TYR . 39.6 t -146.61 74.67 12.44 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.565 ' O ' HD21 ' A' ' 51' ' ' LEU . 61.9 Cg_endo -69.83 178.27 4.79 Favored 'Trans proline' 0 C--N 1.325 -0.666 0 C-N-CA 124.179 3.252 . . . . 0.0 110.831 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.73 142.44 44.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.731 HG11 ' CG ' ' A' ' 26' ' ' LYS . 14.5 m -118.29 163.71 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.361 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.483 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 26.7 mttp -87.05 170.49 12.03 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.483 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 51.8 Cg_exo -58.93 134.8 62.49 Favored 'Trans proline' 0 C--N 1.325 -0.671 0 C-N-CA 124.372 3.381 . . . . 0.0 109.848 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.42 -35.56 4.88 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.457 1.098 . . . . 0.0 111.013 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.5 t -81.2 144.09 11.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 0.75 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.607 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 52.3 m-80 -98.73 140.16 33.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.917 HD13 ' CD ' ' A' ' 26' ' ' LYS . 15.1 tp -138.52 141.64 39.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.751 ' H ' HD12 ' A' ' 51' ' ' LEU . 9.7 t30 -139.25 117.34 11.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.492 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 69.4 m -111.59 143.64 42.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.11 . . . . 0.0 108.271 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.5 p -151.94 163.24 39.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 108.264 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.504 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 39.7 mtt180 -112.32 45.83 1.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.328 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.557 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -132.8 144.39 50.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.408 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.427 ' OD1' HD12 ' A' ' 1' ' ' LEU . 19.6 m-20 -61.39 139.87 58.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.2 mtt180 41.26 38.51 0.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.301 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.557 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 19.9 p -86.36 -23.67 26.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 108.304 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.479 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 25.7 p-10 -95.41 48.33 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.435 ' OD1' ' CE1' ' A' ' 4' ' ' HIS . 65.9 t30 . . . . . 0 C--O 1.25 1.128 0 CA-C-O 117.01 -1.472 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.483 HD12 ' OD1' ' A' ' 57' ' ' ASP . 15.5 tp . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.449 ' OE1' ' NE ' ' A' ' 58' ' ' ARG . 10.7 tt0 -109.8 148.74 30.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.27 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.168 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 10.2 m -140.39 139.91 35.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 108.33 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.559 ' CD2' ' HB2' ' A' ' 61' ' ' ASN . 35.1 m-70 -65.62 136.56 56.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.566 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.447 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 4.2 p-10 -118.85 15.27 13.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.416 ' CD ' ' HA ' ' A' ' 12' ' ' PRO . 2.3 pt20 -75.58 140.84 42.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.27 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.461 ' O ' ' C ' ' A' ' 8' ' ' SER . 29.4 mt-30 -106.89 161.92 14.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.461 ' C ' ' O ' ' A' ' 7' ' ' GLN . 4.2 m 34.74 -134.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.05 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.1 p -93.16 -0.16 57.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.947 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.578 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 2.0 mm100 -44.48 169.07 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.578 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.8 Cg_exo -58.91 128.44 27.97 Favored 'Trans proline' 0 C--N 1.326 -0.648 0 C-N-CA 124.34 3.36 . . . . 0.0 109.856 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 51.6 Cg_exo -58.93 125.57 18.58 Favored 'Trans proline' 0 C--N 1.325 -0.675 0 C-N-CA 124.32 3.347 . . . . 0.0 109.882 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.464 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.2 p -132.8 174.24 10.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.379 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.589 HG21 ' HD3' ' A' ' 58' ' ' ARG . 1.5 p -140.63 158.13 44.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.399 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.4 mtmt -149.42 148.4 29.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.2 m -78.07 135.27 37.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.451 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 1.168 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -89.15 122.01 32.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 108.278 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.0 p -102.57 116.44 32.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 110.033 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.52 -11.04 20.2 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.475 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 12.0 mt-10 -103.72 156.11 18.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 0.803 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.451 ' C ' ' CD2' ' A' ' 1' ' ' LEU . 4.6 p -135.1 15.73 3.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.387 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.481 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 24.7 m-80 -135.19 154.79 51.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.486 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 39.8 m -116.64 138.0 51.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 108.252 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.659 ' HB2' HD11 ' A' ' 51' ' ' LEU . 18.7 p90 -117.0 152.96 33.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 111.028 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -139.25 119.04 13.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.276 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.525 ' HA ' ' O ' ' A' ' 50' ' ' ASN . 5.3 mtpp -109.33 142.15 40.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.597 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 26.2 p90 -160.14 143.78 14.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 108.032 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.628 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 32.0 p90 -160.03 170.94 20.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 107.975 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.7 p -104.79 152.39 22.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.011 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -145.86 167.04 24.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -67.12 -11.17 56.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.598 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -102.39 -28.18 12.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.342 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.34 -174.93 33.42 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.477 1.111 . . . . 0.0 111.018 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.1 m -86.35 115.46 23.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.754 . . . . 0.0 110.391 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.628 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 17.8 mt -90.79 136.98 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.533 HG23 ' HB3' ' A' ' 27' ' ' TRP . 6.9 mt -132.34 128.89 59.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -133.26 114.66 14.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.285 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.477 ' CZ ' ' OXT' ' A' ' 61' ' ' ASN . 12.7 mtt85 -115.61 160.6 19.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.611 ' C ' ' CE2' ' A' ' 24' ' ' TYR . . . -178.37 -177.35 47.0 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.535 1.147 . . . . 0.0 110.977 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.48 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 20.3 m -86.19 151.97 23.2 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.411 ' O ' ' HB3' ' A' ' 24' ' ' TYR . . . 95.69 -168.04 26.15 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.447 1.092 . . . . 0.0 111.0 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.405 ' HA ' ' HB3' ' A' ' 24' ' ' TYR . 37.8 t -144.89 74.28 14.68 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.561 ' O ' HD21 ' A' ' 51' ' ' LEU . 62.0 Cg_endo -69.83 -179.69 3.12 Favored 'Trans proline' 0 C--N 1.325 -0.674 0 C-N-CA 124.167 3.245 . . . . 0.0 110.847 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.5 140.61 47.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.241 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.808 HG13 HD22 ' A' ' 51' ' ' LEU . 13.7 m -114.57 163.02 12.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.473 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 15.3 mtmt -86.56 170.0 13.59 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.473 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 51.9 Cg_exo -58.92 134.11 58.04 Favored 'Trans proline' 0 C--N 1.325 -0.677 0 C-N-CA 124.351 3.367 . . . . 0.0 109.828 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.49 -35.52 4.92 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.5 t -81.74 146.08 7.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.557 0.799 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.597 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 51.8 m-80 -100.21 142.69 31.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.808 HD22 HG13 ' A' ' 45' ' ' VAL . 34.9 tp -141.76 140.98 33.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.523 ' H ' HD12 ' A' ' 51' ' ' LEU . 3.0 t-20 -138.68 118.46 13.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 67.9 m -110.5 143.98 40.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 108.299 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.3 p -151.94 164.78 36.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 108.327 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.481 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 39.6 mtm180 -111.69 45.92 1.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.557 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.2 p -134.43 143.61 47.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 110.382 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.483 ' OD1' HD12 ' A' ' 1' ' ' LEU . 0.8 OUTLIER -62.53 141.85 58.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.589 ' HD3' HG21 ' A' ' 14' ' ' THR . 18.3 mtt85 42.81 35.15 0.67 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.557 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 16.4 p -86.51 -22.78 26.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 108.295 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.486 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 20.5 p-10 -95.6 49.49 1.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.559 ' HB2' ' CD2' ' A' ' 4' ' ' HIS . 1.7 t-20 . . . . . 0 C--O 1.25 1.107 0 CA-C-O 117.015 -1.469 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.428 HD12 ' OD1' ' A' ' 57' ' ' ASP . 13.5 tp . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.4 mp0 -111.65 146.35 37.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.081 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 12.4 m -136.68 137.23 39.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.163 . . . . 0.0 108.252 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.536 ' CD2' ' HB2' ' A' ' 61' ' ' ASN . 34.0 m-70 -60.5 146.3 45.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.621 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.428 ' OD1' ' CB ' ' A' ' 13' ' ' THR . 4.5 p-10 -131.3 15.08 5.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.425 ' NE2' ' HA ' ' A' ' 12' ' ' PRO . 7.5 pt20 -65.32 143.3 57.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.549 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 3.7 tp-100 -106.83 132.57 52.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.447 ' N ' ' OE1' ' A' ' 7' ' ' GLN . 14.7 m 52.47 -129.69 2.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.017 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.0 m -92.3 1.09 57.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.993 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.649 ' HB3' ' HD2' ' A' ' 11' ' ' PRO . 9.0 mm-40 -46.21 169.12 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 0.0 110.305 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.649 ' HD2' ' HB3' ' A' ' 10' ' ' GLN . 51.7 Cg_exo -58.97 132.95 50.4 Favored 'Trans proline' 0 C--N 1.325 -0.709 0 C-N-CA 124.348 3.366 . . . . 0.0 109.871 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 11' ' ' PRO . 52.0 Cg_exo -58.91 122.5 11.72 Favored 'Trans proline' 0 C--N 1.325 -0.708 0 C-N-CA 124.376 3.384 . . . . 0.0 109.869 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.486 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 2.0 p -132.52 172.99 11.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.37 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.471 HG21 ' NE ' ' A' ' 58' ' ' ARG . 2.0 p -145.58 157.79 43.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 110.399 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.45 149.54 34.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.4 m -77.12 132.85 39.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 110.405 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 1.081 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 3.9 m -87.33 121.93 30.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 108.34 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.9 t -102.86 116.28 32.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.158 . . . . 0.0 110.027 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 78.05 -10.82 25.0 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.548 1.155 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.489 ' HB2' ' HB3' ' A' ' 17' ' ' CYS . 10.3 mt-10 -103.56 156.2 17.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 0.764 . . . . 0.0 110.26 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.1 p -135.39 15.54 3.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.164 . . . . 0.0 110.359 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.492 ' OD1' ' CG ' ' A' ' 55' ' ' ARG . 24.2 m-80 -134.43 154.95 51.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 109.289 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.464 ' HB3' ' CG ' ' A' ' 60' ' ' ASN . 51.6 m -117.5 138.51 51.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 108.314 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.686 ' HB2' HD11 ' A' ' 51' ' ' LEU . 12.4 p90 -118.14 149.88 40.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 111.042 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.543 ' HE3' ' CZ3' ' A' ' 27' ' ' TRP . 21.6 ttpt -136.37 118.35 15.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.594 ' HG2' HD13 ' A' ' 51' ' ' LEU . 9.5 mttt -109.48 142.24 40.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.585 ' CZ2' ' HB3' ' A' ' 50' ' ' ASN . 25.5 p90 -158.27 144.92 17.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 107.986 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.632 ' CZ2' ' CG2' ' A' ' 35' ' ' ILE . 39.4 p90 -160.01 169.88 22.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 107.984 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.1 t -105.18 151.61 23.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.998 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.488 ' OD2' ' CD1' ' A' ' 35' ' ' ILE . 94.4 m-20 -145.7 166.77 24.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -67.52 -9.95 47.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.627 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -102.48 -28.41 12.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 154.84 -174.94 33.06 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.474 1.109 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.1 m -85.86 116.51 24.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 0.747 . . . . 0.0 110.422 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.632 ' CG2' ' CZ2' ' A' ' 28' ' ' TRP . 15.7 mt -93.23 135.82 26.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.668 HG21 ' NH1' ' A' ' 38' ' ' ARG . 7.8 mt -129.92 122.7 55.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -123.93 113.85 19.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.668 ' NH1' HG21 ' A' ' 36' ' ' ILE . 23.8 mtt85 -116.14 160.35 20.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.658 ' CA ' ' CE2' ' A' ' 24' ' ' TYR . . . -178.6 179.69 48.65 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.499 1.124 . . . . 0.0 111.021 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.0 m -84.57 151.49 24.51 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.4 -165.51 25.0 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.463 1.102 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 35.2 t -144.85 73.66 14.91 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.623 ' O ' HD21 ' A' ' 51' ' ' LEU . 61.6 Cg_endo -69.8 -179.24 2.79 Favored 'Trans proline' 0 C--N 1.325 -0.686 0 C-N-CA 124.223 3.282 . . . . 0.0 110.834 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.9 ptmt -114.85 140.79 48.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.78 HG13 HD22 ' A' ' 51' ' ' LEU . 18.9 m -113.75 163.48 10.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.466 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 15.6 mttm -85.33 169.76 15.18 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.466 ' HD2' ' HB3' ' A' ' 46' ' ' LYS . 51.6 Cg_exo -58.9 133.95 57.03 Favored 'Trans proline' 0 C--N 1.325 -0.71 0 C-N-CA 124.333 3.355 . . . . 0.0 109.873 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.18 -35.21 5.1 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.517 1.136 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.468 HG13 ' CE3' ' A' ' 28' ' ' TRP . 2.6 t -81.75 146.05 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.585 ' HB3' ' CZ2' ' A' ' 27' ' ' TRP . 53.1 m-80 -99.54 144.54 28.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.78 HD22 HG13 ' A' ' 45' ' ' VAL . 25.3 tp -144.63 139.92 28.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.338 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.563 ' H ' HD12 ' A' ' 51' ' ' LEU . 1.6 t-20 -138.81 120.03 14.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.454 ' HA ' ' O ' ' A' ' 23' ' ' CYS . 61.2 m -109.76 145.0 37.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 108.284 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 p -153.9 164.22 38.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 108.314 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.492 ' CG ' ' OD1' ' A' ' 22' ' ' ASN . 48.4 mtt180 -111.7 45.79 1.19 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.58 ' OG1' ' CB ' ' A' ' 59' ' ' CYS . 1.1 p -132.2 144.18 50.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.436 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.428 ' OD1' HD12 ' A' ' 1' ' ' LEU . 19.7 m-20 -61.33 140.27 58.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.471 ' NE ' HG21 ' A' ' 14' ' ' THR . 24.0 mtt180 41.43 37.46 0.67 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.143 . . . . 0.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.58 ' CB ' ' OG1' ' A' ' 56' ' ' THR . 16.7 p -86.98 -22.03 25.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 108.328 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.464 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 17.8 p-10 -95.3 48.19 1.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.536 ' HB2' ' CD2' ' A' ' 4' ' ' HIS . 12.9 t30 . . . . . 0 C--O 1.25 1.09 0 CA-C-O 116.997 -1.478 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 stop_ save_