data_1ue9_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 1ue9 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 15.3 mm -93.81 149.25 4.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -134.67 139.3 45.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 109.276 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -101.13 119.95 39.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.407 ' CG1' ' O ' ' A' ' 27' ' ' ALA . 98.8 t -59.3 130.94 23.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.458 ' CG2' ' HB3' ' A' ' 65' ' ' LYS . 72.9 p -113.97 -16.95 12.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 110.384 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -148.29 129.98 15.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 109.94 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.478 ' CB ' ' HD3' ' A' ' 28' ' ' PRO . . . -62.11 146.7 49.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.415 ' HB2' ' ND1' ' A' ' 63' ' ' HIS . 45.6 t80 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 111.026 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 22.4 tp -122.14 130.01 52.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.167 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.1 p -74.62 137.55 42.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 110.004 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.557 HD12 ' CD1' ' A' ' 59' ' ' PHE . 13.6 mt -112.96 140.59 47.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.407 ' O ' ' CG1' ' A' ' 12' ' ' VAL . . . -126.83 142.43 43.43 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.478 ' HD3' ' CB ' ' A' ' 15' ' ' ALA . 17.9 Cg_endo -75.07 113.36 3.77 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.484 1.781 . . . . 0.0 110.974 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.24 20.47 7.06 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 0.0 110.962 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -119.69 179.93 4.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.771 . . . . 0.0 110.307 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 66.4 mt -132.25 144.8 50.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 109.281 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.449 ' CG1' ' HA ' ' A' ' 47' ' ' LEU . 6.1 mt -137.85 145.79 28.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.348 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.417 ' N ' HG23 ' A' ' 32' ' ' ILE . 8.4 tp -102.85 118.03 35.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 33.0 mm -70.66 123.5 24.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.1 -41.25 4.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.098 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.4 ttmt -140.18 147.53 40.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.098 . . . . 0.0 109.309 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.473 ' HD3' ' CE2' ' A' ' 43' ' ' TRP . 4.8 mttp -128.96 147.74 50.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.446 ' OD1' ' N ' ' A' ' 39' ' ' THR . 49.8 t-20 -115.46 156.69 25.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.446 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 23.0 p -78.78 1.37 23.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.408 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.24 -35.15 10.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.011 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 136.57 -23.58 3.25 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.547 1.154 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 87.9 m95 -67.21 124.9 24.4 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.473 ' CE2' ' HD3' ' A' ' 37' ' ' LYS . 43.9 m0 -115.07 141.44 48.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 108.007 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.525 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 51.1 tt0 -107.02 95.26 5.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.318 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -122.65 -179.94 15.99 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.488 1.118 . . . . 0.0 110.959 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 55' ' ' GLN . 4.2 tt0 -125.33 120.28 30.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 0.781 . . . . 0.0 110.282 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.449 ' HA ' ' CG1' ' A' ' 32' ' ' ILE . 0.3 OUTLIER -51.12 115.63 1.64 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 53.4 mm-40 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.262 -179.973 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.498 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 1.4 mp0 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.03 125.29 4.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -174.48 -170.69 37.97 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.523 1.139 . . . . 0.0 110.975 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.525 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 82.1 m95 -100.03 128.45 46.11 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.557 ' CD1' HD12 ' A' ' 26' ' ' LEU . 7.3 p90 -138.95 159.58 66.39 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 111.022 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.504 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.4 Cg_endo -74.98 131.28 14.13 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.479 1.779 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.407 ' HB3' ' CD2' ' A' ' 43' ' ' TRP . . . -72.08 -11.35 60.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.6 -12.01 60.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.001 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.504 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 9.9 m-70 -94.78 -19.26 20.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 109.626 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.9 m -116.93 174.2 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.458 ' HB3' ' CG2' ' A' ' 13' ' ' THR . 0.8 OUTLIER -141.51 125.38 17.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.5 mt -58.68 133.38 55.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.6 mt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.082 . . . . 0.0 109.292 179.998 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.3 mm -92.88 150.13 3.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -134.8 138.21 44.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -99.86 113.92 26.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.8 t -54.67 134.87 17.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 73.0 p -118.96 -7.79 10.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.449 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.0 129.28 6.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.978 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.467 ' CB ' ' HD3' ' A' ' 28' ' ' PRO . . . -62.35 147.44 48.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 37.9 t80 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 111.027 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.1 mp0 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.447 ' CD1' ' HB3' ' A' ' 55' ' ' GLN . 20.5 tp -129.35 130.1 45.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.561 1.163 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.3 p -74.46 131.35 40.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.016 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.568 HD12 ' CD1' ' A' ' 59' ' ' PHE . 15.7 mt -103.76 142.0 35.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 0.0 109.267 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -126.33 140.82 38.17 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.467 ' HD3' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.99 113.0 3.69 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.512 1.796 . . . . 0.0 111.02 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 108.84 25.39 5.68 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.488 1.118 . . . . 0.0 111.0 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -124.27 -178.14 4.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 0.758 . . . . 0.0 110.327 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 72.2 mt -135.87 142.8 44.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.441 ' CG1' ' HA ' ' A' ' 47' ' ' LEU . 6.1 mt -136.32 144.32 33.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.439 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 7.3 tp -98.21 116.61 30.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.122 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 31.8 mm -69.22 122.06 19.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.468 ' CD1' ' HA2' ' A' ' 45' ' ' GLY . 0.2 OUTLIER -109.04 -35.51 6.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -146.65 148.28 31.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.495 ' HD3' ' CE2' ' A' ' 43' ' ' TRP . 5.2 mttp -129.66 126.95 39.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -88.9 169.37 11.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.16 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.4 t -96.16 13.91 25.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.407 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.78 -34.16 6.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.997 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 138.21 -11.91 3.56 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.532 1.145 . . . . 0.0 111.037 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -81.34 126.81 32.04 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.495 ' CE2' ' HD3' ' A' ' 37' ' ' LYS . 40.1 m0 -114.92 144.17 43.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 107.998 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.514 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 41.2 tt0 -110.4 99.22 8.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.468 ' HA2' ' CD1' ' A' ' 35' ' ' LEU . . . -130.11 179.65 16.69 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.457 1.098 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.455 ' CG ' ' O ' ' A' ' 55' ' ' GLN . 8.1 tt0 -121.86 131.23 53.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 0.755 . . . . 0.0 110.26 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.441 ' HA ' ' CG1' ' A' ' 32' ' ' ILE . 0.2 OUTLIER -63.62 121.8 14.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 63.6 mm-40 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 179.967 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.455 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.11 129.86 6.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.426 ' CA ' ' HB2' ' A' ' 24' ' ' LEU . . . 179.14 -163.7 31.42 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.451 1.094 . . . . 0.0 111.001 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.514 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 83.9 m95 -101.83 143.09 32.16 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.568 ' CD1' HD12 ' A' ' 26' ' ' LEU . 5.7 p90 -155.25 158.56 32.01 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.517 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.3 Cg_endo -75.0 132.14 15.08 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.472 1.775 . . . . 0.0 111.02 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.35 -15.88 62.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.86 -9.1 56.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.014 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.517 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 9.6 m-70 -98.22 -15.04 20.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.572 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.0 m -125.85 173.88 10.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.12 127.9 23.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.7 mt -60.98 134.12 56.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.0 mt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.996 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 14.6 mm -96.13 149.31 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -134.7 140.17 45.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.167 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -104.13 120.7 41.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.457 ' CG1' ' O ' ' A' ' 27' ' ' ALA . 90.6 t -64.18 129.89 28.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.8 p -115.32 -17.2 11.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.391 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -143.04 129.17 19.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 110.054 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.477 ' CB ' ' HD3' ' A' ' 28' ' ' PRO . . . -63.17 145.82 54.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 61.6 t80 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.98 -179.977 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.442 ' CD1' ' HB3' ' A' ' 55' ' ' GLN . 23.9 tp -120.75 130.37 54.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 29.3 m -74.66 131.78 41.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 110.044 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.575 HD13 ' CD1' ' A' ' 59' ' ' PHE . 9.2 mt -107.57 143.83 35.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.457 ' O ' ' CG1' ' A' ' 12' ' ' VAL . . . -128.59 143.81 49.8 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.477 ' HD3' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.01 113.54 3.82 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.516 1.798 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 108.21 24.3 6.31 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.499 1.124 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -121.29 172.92 7.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.577 0.81 . . . . 0.0 110.271 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 72.6 mt -126.13 139.22 53.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.407 HG21 ' N ' ' A' ' 33' ' ' LEU . 6.6 mt -132.62 151.08 33.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.482 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 0.1 OUTLIER -106.89 115.55 30.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 43.3 mm -68.46 121.45 17.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.575 1.172 . . . . 0.0 109.34 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.3 mt -110.69 -41.75 4.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.84 155.95 47.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -132.01 164.46 26.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.321 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -140.26 150.39 44.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.5 p -60.54 -40.18 90.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.425 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.9 t -55.62 -46.61 77.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.014 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 140.93 -15.88 2.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -66.7 125.11 24.78 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.429 ' CD2' ' HB1' ' A' ' 61' ' ' ALA . 44.7 m0 -114.76 141.86 47.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 107.985 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.527 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 46.8 tt0 -109.78 97.3 6.86 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.482 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -125.58 -173.33 13.62 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.534 1.146 . . . . 0.0 110.956 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.489 ' CG ' ' O ' ' A' ' 55' ' ' GLN . 14.6 tt0 -124.8 130.76 53.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 0.74 . . . . 0.0 110.282 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.98 115.34 4.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.308 -179.997 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.489 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 2.6 mp0 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.07 129.25 11.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 109.274 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 178.67 -177.53 48.47 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.481 1.113 . . . . 0.0 111.047 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.527 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 75.6 m95 -94.02 143.98 25.87 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.575 ' CD1' HD13 ' A' ' 26' ' ' LEU . 6.1 p90 -155.02 160.1 31.21 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 111.027 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.508 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.2 Cg_endo -74.99 131.41 14.26 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.501 1.79 . . . . 0.0 110.963 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.429 ' HB1' ' CD2' ' A' ' 43' ' ' TRP . . . -72.49 -17.42 61.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.3 t -67.1 -11.17 56.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.02 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.508 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 10.5 m-70 -94.13 -23.56 17.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.591 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.5 m -115.65 174.29 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.337 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.9 ptmt -138.13 129.06 27.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.0 mt -62.49 132.78 53.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.3 mt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 -179.979 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.5 mm -91.64 150.76 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -133.62 141.57 47.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -100.9 118.71 37.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.479 ' CG1' ' O ' ' A' ' 27' ' ' ALA . 85.1 t -62.9 129.91 26.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 69.5 p -112.57 -23.14 10.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.408 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -139.21 132.81 30.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.991 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.477 ' CB ' ' HD3' ' A' ' 28' ' ' PRO . . . -64.13 143.3 57.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 63.9 t80 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.955 -179.94 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.1 mp0 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.1 tp -122.09 129.78 52.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.351 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 53.1 p -75.2 129.73 37.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.985 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.574 HD13 ' CD1' ' A' ' 59' ' ' PHE . 6.1 mt -106.82 151.93 24.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.479 ' O ' ' CG1' ' A' ' 12' ' ' VAL . . . -135.52 144.05 47.69 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.477 ' HD3' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.99 112.61 3.6 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.521 1.801 . . . . 0.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.31 20.39 7.47 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -118.25 175.43 5.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 0.758 . . . . 0.0 110.287 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' A' ' 48' ' ' GLN . 73.6 mt -126.99 144.22 51.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.455 HD12 ' CD2' ' A' ' 26' ' ' LEU . 5.9 mt -137.62 143.8 32.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.426 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 3.1 tt -101.38 114.7 28.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.3 mm -66.9 125.68 24.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.3 mt -114.4 -35.92 4.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -147.37 146.89 29.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.349 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -127.63 128.82 46.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 37.7 t-20 -87.93 170.13 11.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.0 t -94.78 13.6 24.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.373 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.58 -34.55 5.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.008 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 142.2 -22.04 2.43 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.52 1.137 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -69.31 127.47 33.17 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.411 ' CE3' ' HB3' ' A' ' 61' ' ' ALA . 44.7 m0 -115.18 140.36 49.15 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.525 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 43.6 tt0 -108.15 98.18 7.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.346 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.426 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -130.3 -170.18 12.65 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.479 1.112 . . . . 0.0 110.976 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.466 ' CG ' ' O ' ' A' ' 55' ' ' GLN . 12.0 tt0 -125.87 134.87 51.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 0.769 . . . . 0.0 110.262 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.435 ' HA ' ' CG1' ' A' ' 32' ' ' ILE . 0.3 OUTLIER -64.73 111.03 2.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 31' ' ' LEU . 97.6 mm-40 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.466 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.9 127.34 14.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -177.02 -170.38 39.41 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.501 1.126 . . . . 0.0 110.981 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.525 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 85.1 m95 -101.43 143.12 31.84 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.574 ' CD1' HD13 ' A' ' 26' ' ' LEU . 8.6 p90 -155.11 159.03 32.14 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.474 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.2 Cg_endo -75.02 131.18 13.97 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.501 1.79 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.411 ' HB3' ' CE3' ' A' ' 43' ' ' TRP . . . -71.48 -17.74 62.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 54.4 m -67.5 -10.77 54.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.968 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.474 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 7.8 m-70 -95.38 -18.06 21.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.6 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.401 ' O ' ' O ' ' A' ' 61' ' ' ALA . 2.8 m -122.64 175.82 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.12 128.18 23.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.105 . . . . 0.0 109.292 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.5 mt -62.45 135.61 57.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.322 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.6 mt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.413 HG21 ' N ' ' A' ' 10' ' ' ALA . 22.8 mm -98.43 147.46 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.413 ' N ' HG21 ' A' ' 9' ' ' ILE . . . -134.15 136.64 43.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -99.98 121.96 42.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.338 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.464 ' CG1' ' O ' ' A' ' 27' ' ' ALA . 89.4 t -64.44 130.82 29.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.7 p -115.04 -18.14 11.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.423 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.89 132.08 23.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.995 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.487 ' CB ' ' HD3' ' A' ' 28' ' ' PRO . . . -65.44 144.68 56.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 38.5 t80 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.994 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.2 mp0 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.424 ' CD1' ' HB3' ' A' ' 55' ' ' GLN . 20.3 tp -123.53 129.42 51.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.0 m -73.8 135.17 43.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.986 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.574 HD13 ' CD1' ' A' ' 59' ' ' PHE . 12.9 mt -110.73 143.44 41.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.464 ' O ' ' CG1' ' A' ' 12' ' ' VAL . . . -127.35 143.1 46.01 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.487 ' HD3' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.96 112.05 3.47 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.49 1.784 . . . . 0.0 111.011 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 109.29 26.55 5.12 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.452 1.095 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -124.25 175.54 6.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 0.754 . . . . 0.0 110.338 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 72.3 mt -127.43 147.23 50.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.336 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.475 ' CD1' HD22 ' A' ' 26' ' ' LEU . 5.2 mt -139.8 153.34 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.16 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.447 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 0.4 OUTLIER -108.93 115.39 29.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 41.8 mm -68.62 116.88 9.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.1 mt -105.02 -45.0 4.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -135.07 160.34 38.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.2 mttp -130.33 168.78 16.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -140.22 159.61 41.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.4 p -90.83 53.22 2.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 110.386 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.98 -41.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.012 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 145.91 -17.41 1.77 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.492 1.12 . . . . 0.0 110.96 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -73.85 115.81 13.73 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 38.6 m0 -112.17 144.6 41.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 108.0 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.528 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 44.2 tt0 -110.55 97.9 7.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.447 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -129.45 -172.97 13.27 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.119 . . . . 0.0 111.039 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.481 ' CG ' ' O ' ' A' ' 55' ' ' GLN . 17.3 tt0 -123.55 135.52 54.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.448 ' HA ' ' CG1' ' A' ' 32' ' ' ILE . 0.3 OUTLIER -68.08 112.58 5.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.327 179.964 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.481 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.94 126.7 8.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.403 ' CA ' ' HB2' ' A' ' 24' ' ' LEU . . . -178.97 -169.63 39.83 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.513 1.133 . . . . 0.0 110.955 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.528 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 86.9 m95 -98.62 144.13 28.25 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.574 ' CD1' HD13 ' A' ' 26' ' ' LEU . 5.8 p90 -155.39 157.0 31.56 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.954 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.475 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.4 Cg_endo -74.94 132.63 15.73 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.433 1.754 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.76 -18.02 62.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 72.5 m -67.54 -11.36 57.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.991 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.475 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 8.1 m-70 -95.62 -18.05 20.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.606 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.0 m -121.1 174.84 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -138.32 126.59 23.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.9 mt -63.56 133.31 53.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 20.0 mt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.313 -179.987 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.5 mp0 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.404 HG23 ' N ' ' A' ' 10' ' ' ALA . 19.6 mm -105.98 144.46 15.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.464 ' HB1' ' CG2' ' A' ' 64' ' ' VAL . . . -131.66 135.59 47.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -100.41 122.19 42.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.488 ' CG1' ' O ' ' A' ' 27' ' ' ALA . 90.1 t -62.0 132.81 27.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 75.9 p -115.61 -27.07 7.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.431 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.25 131.1 39.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 110.048 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.493 ' CB ' ' HD3' ' A' ' 28' ' ' PRO . . . -65.52 143.28 57.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 15.4 t80 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 -179.968 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.402 ' HA ' ' O ' ' A' ' 58' ' ' TRP . 8.7 mt-30 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.455 ' CD1' ' HB3' ' A' ' 55' ' ' GLN . 21.3 tp -126.06 129.84 49.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.335 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.7 m -70.0 153.46 43.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.118 . . . . 0.0 109.983 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.503 HD12 ' CD1' ' A' ' 59' ' ' PHE . 18.2 mt -127.67 140.66 51.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.488 ' O ' ' CG1' ' A' ' 12' ' ' VAL . . . -127.58 142.41 44.03 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.493 ' HD3' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.94 111.99 3.45 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.46 1.769 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.86 24.21 5.6 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.133 . . . . 0.0 110.969 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -122.68 174.99 6.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.327 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 74.5 mt -127.49 146.32 50.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.413 HG22 ' N ' ' A' ' 33' ' ' LEU . 5.8 mt -138.54 152.01 24.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.47 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 0.8 OUTLIER -107.16 117.35 33.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.35 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 39.9 mm -71.51 111.63 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.1 mt -99.39 -48.2 4.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.151 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.05 159.82 40.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -129.91 169.29 15.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 39' ' ' THR . 36.6 t30 -138.45 162.29 34.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.451 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 13.4 p -91.38 52.49 2.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 110.422 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.9 -41.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.02 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 145.16 -17.58 1.92 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.529 1.143 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -73.35 110.15 7.41 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 41.0 m0 -105.57 140.83 38.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 107.974 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.537 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 51.3 tt0 -105.35 94.29 5.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.47 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -124.76 -174.91 14.13 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.539 1.149 . . . . 0.0 111.023 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -125.23 129.95 51.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 0.76 . . . . 0.0 110.31 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.408 ' HA ' ' CG1' ' A' ' 32' ' ' ILE . 0.4 OUTLIER -61.31 113.74 2.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.357 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.334 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.455 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 3.1 mp0 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.7 129.65 12.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 109.245 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.414 ' CA ' ' HB2' ' A' ' 24' ' ' LEU . . . 179.47 -173.88 45.72 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.122 . . . . 0.0 110.999 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.537 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 86.4 m95 -97.69 119.12 35.7 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.503 ' CD1' HD12 ' A' ' 26' ' ' LEU . 7.7 p90 -128.03 155.94 77.03 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.458 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.3 Cg_endo -75.0 132.24 15.19 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.491 1.785 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 64' ' ' VAL . . . -72.4 -21.86 61.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.88 -12.98 28.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.023 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.458 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 8.9 m-70 -93.54 -22.99 18.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.587 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.464 ' CG2' ' HB1' ' A' ' 10' ' ' ALA . 1.6 m -115.06 176.0 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.3 pttt -138.88 129.69 26.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.4 mt -59.8 140.96 56.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 mt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.4 HG21 ' N ' ' A' ' 10' ' ' ALA . 8.6 mm -92.84 143.44 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.4 ' N ' HG21 ' A' ' 9' ' ' ILE . . . -124.69 136.25 53.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -96.49 110.82 23.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.498 ' CG1' ' O ' ' A' ' 27' ' ' ALA . 97.0 t -56.55 134.69 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 73.8 p -115.23 -25.64 7.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.353 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.412 ' HB2' ' ND1' ' A' ' 63' ' ' HIS . 3.0 m -133.88 140.96 47.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.978 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.474 ' CB ' ' HD3' ' A' ' 28' ' ' PRO . . . -71.49 141.22 50.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.473 ' O ' ' N ' ' A' ' 26' ' ' LEU . 63.4 t80 . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 110.966 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 32.3 tp -125.68 132.29 52.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.7 p -76.43 143.96 40.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.976 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.578 HD11 ' CD1' ' A' ' 59' ' ' PHE . 12.9 mt -118.91 148.29 43.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.498 ' O ' ' CG1' ' A' ' 12' ' ' VAL . . . -132.58 143.04 47.09 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.474 ' HD3' ' CB ' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.06 114.47 4.03 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.476 1.777 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.41 18.47 8.57 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.451 1.095 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -115.49 -179.88 3.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 0.765 . . . . 0.0 110.3 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.1 mt -135.7 134.85 39.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.295 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.445 ' CD1' HD23 ' A' ' 26' ' ' LEU . 5.9 mt -128.1 152.11 35.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.446 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 6.9 tp -105.97 118.58 36.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 47.3 mm -71.62 116.98 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.8 mt -106.18 -53.19 2.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -125.37 146.51 49.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.9 mttp -123.07 167.65 13.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 109.342 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -136.24 164.79 27.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.9 t -94.06 19.44 9.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 110.388 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.9 m -117.72 -39.24 3.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 110.025 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 141.65 -14.95 2.68 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.443 1.089 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 89.4 m95 -76.96 125.96 30.18 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.975 -1.121 . . . . 0.0 107.975 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 40.4 m0 -117.16 142.99 46.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 108.007 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.526 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 47.7 tt0 -110.55 96.75 6.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.345 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.446 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -125.39 -177.21 14.81 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.124 . . . . 0.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.497 ' CG ' ' O ' ' A' ' 55' ' ' GLN . 4.0 tt0 -124.91 127.99 47.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 0.759 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.2 126.77 28.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.31 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.497 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 1.4 mp0 . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.04 124.1 4.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -174.4 -166.47 32.46 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.525 1.141 . . . . 0.0 110.969 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.526 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 85.1 m95 -103.46 142.06 34.9 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.578 ' CD1' HD11 ' A' ' 26' ' ' LEU . 7.2 p90 -154.96 159.86 31.44 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 111.007 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 131.02 13.87 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.53 1.805 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.38 -17.43 62.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.9 m -67.16 -12.87 61.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 110.018 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.412 ' ND1' ' HB2' ' A' ' 14' ' ' SER . 4.6 m-70 -93.19 -12.07 31.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.572 1.17 . . . . 0.0 109.629 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.4 m -127.27 175.3 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.99 125.16 18.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.9 mt -60.05 133.3 55.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.333 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.5 mt . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.969 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.0 mm -97.38 140.85 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -125.07 137.49 54.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -98.08 111.36 23.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' A' ' 27' ' ' ALA . 86.6 t -55.54 134.53 19.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.8 p -114.86 -27.0 7.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.41 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.418 ' HB2' ' ND1' ' A' ' 63' ' ' HIS . 2.3 m -133.69 138.43 45.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 110.004 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.488 ' CB ' ' HD3' ' A' ' 28' ' ' PRO . . . -70.13 142.8 52.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.422 ' O ' ' N ' ' A' ' 26' ' ' LEU . 66.5 t80 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.113 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.299 -0.259 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 25.7 tp -119.54 132.57 55.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.3 p -76.56 147.61 37.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.065 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.493 HD11 ' CD1' ' A' ' 59' ' ' PHE . 41.0 mt -118.51 156.84 28.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.5 ' O ' ' CG1' ' A' ' 12' ' ' VAL . . . -140.05 141.14 25.83 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.488 ' HD3' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.97 113.09 3.71 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.529 1.805 . . . . 0.0 111.019 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.8 22.69 6.2 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.467 1.105 . . . . 0.0 110.957 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -119.62 -179.96 4.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 0.741 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.2 mt -135.7 135.74 40.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.469 HD11 ' CD2' ' A' ' 26' ' ' LEU . 5.7 mt -128.75 154.85 40.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.127 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.451 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 9.0 tp -109.03 115.85 30.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 41.6 mm -69.99 112.15 4.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.9 mt -99.04 -47.3 5.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.41 150.57 52.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.6 mttp -126.64 168.74 13.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -138.01 171.39 14.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 109.266 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.1 t -99.93 21.79 12.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.407 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.42 -39.94 2.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.987 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 141.53 -15.37 2.7 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.445 1.09 . . . . 0.0 110.952 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 83.7 m95 -77.94 126.31 30.64 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.487 ' CD2' ' HB1' ' A' ' 61' ' ' ALA . 40.0 m0 -116.81 141.63 47.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.168 . . . . 0.0 108.025 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.533 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 48.9 tt0 -108.53 96.07 6.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.451 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -126.22 -177.04 14.71 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.469 ' CG ' ' O ' ' A' ' 55' ' ' GLN . 2.8 tt0 -124.59 131.04 53.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 0.739 . . . . 0.0 110.34 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.415 HD23 ' N ' ' A' ' 48' ' ' GLN . 0.9 OUTLIER -60.61 126.9 29.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.415 ' N ' HD23 ' A' ' 47' ' ' LEU . 73.1 mm-40 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.299 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.469 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 3.1 mp0 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.55 124.56 0.82 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -174.62 -168.08 34.87 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.519 1.137 . . . . 0.0 111.032 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.533 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 81.5 m95 -104.85 119.24 38.52 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.493 ' CD1' HD11 ' A' ' 26' ' ' LEU . 16.3 p90 -131.16 161.57 60.94 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.412 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.3 Cg_endo -75.0 129.2 12.12 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.54 1.811 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.487 ' HB1' ' CD2' ' A' ' 43' ' ' TRP . . . -70.91 -19.41 62.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.6 m -65.37 -10.64 34.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.993 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.433 ' CB ' HD12 ' A' ' 26' ' ' LEU . 10.8 m-70 -97.02 -1.91 44.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.595 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.407 ' CG1' HD13 ' A' ' 26' ' ' LEU . 2.5 m -137.81 176.21 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.16 129.41 22.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.9 mt -61.45 135.3 57.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.982 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.41 HG21 ' N ' ' A' ' 10' ' ' ALA . 11.0 mm -88.85 141.61 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.41 ' N ' HG21 ' A' ' 9' ' ' ILE . . . -127.83 129.89 47.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -94.65 121.19 35.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.459 ' CG1' ' O ' ' A' ' 27' ' ' ALA . 97.6 t -59.07 134.04 24.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.464 ' CG2' ' HB3' ' A' ' 65' ' ' LYS . 69.1 p -114.99 -11.16 12.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.423 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 m -157.92 136.85 11.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.038 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.471 ' CB ' ' HD3' ' A' ' 28' ' ' PRO . . . -64.91 148.69 50.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 40.6 t80 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 111.006 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.5 mp0 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.435 ' HB2' ' CA ' ' A' ' 57' ' ' GLY . 23.4 tp -123.65 130.97 53.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 55.1 p -75.94 129.26 36.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 109.988 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.57 HD12 ' CD1' ' A' ' 59' ' ' PHE . 12.4 mt -101.43 160.5 14.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.459 ' O ' ' CG1' ' A' ' 12' ' ' VAL . . . -146.18 143.04 18.36 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.471 ' HD3' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.99 112.47 3.57 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.492 1.785 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 107.36 27.28 5.34 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -127.33 162.49 26.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 110.312 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 53.1 mt -113.79 147.37 38.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.327 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.1 mt -140.34 152.73 21.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.507 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 0.1 OUTLIER -108.89 114.04 27.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.449 ' CG2' ' HE3' ' A' ' 37' ' ' LYS . 46.0 mm -65.65 125.97 23.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.472 ' CD1' ' HA2' ' A' ' 45' ' ' GLY . 1.8 mt -117.61 -50.52 2.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.463 ' HB3' ' CZ2' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -125.49 145.74 49.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.449 ' HE3' ' CG2' ' A' ' 34' ' ' ILE . 4.6 mttp -132.35 151.89 51.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.435 ' OD1' ' N ' ' A' ' 39' ' ' THR . 37.5 t30 -124.89 165.42 18.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.435 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 20.2 p -87.99 51.31 2.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.402 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.422 ' HB2' ' ND2' ' A' ' 38' ' ' ASN . 0.5 OUTLIER -153.61 -41.53 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.979 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 144.43 -16.57 2.06 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 94.5 m95 -70.45 112.0 6.41 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.408 ' O ' ' N ' ' A' ' 59' ' ' PHE . 46.5 m0 -115.04 142.48 46.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 107.958 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.613 ' HB2' ' CD2' ' A' ' 58' ' ' TRP . 3.1 tt0 -112.11 106.34 14.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.507 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -132.49 -177.12 14.72 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.498 1.124 . . . . 0.0 111.031 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.431 ' CG ' ' O ' ' A' ' 55' ' ' GLN . 10.4 tt0 -118.09 126.64 52.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 0.741 . . . . 0.0 110.289 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.427 ' HB2' ' CB ' ' A' ' 55' ' ' GLN . 0.4 OUTLIER -59.78 111.7 1.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.087 . . . . 0.0 110.3 -179.965 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.431 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 6.1 mp0 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -163.02 126.86 2.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.435 ' CA ' ' HB2' ' A' ' 24' ' ' LEU . . . 175.43 174.53 42.1 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.613 ' CD2' ' HB2' ' A' ' 44' ' ' GLN . 64.1 m95 -80.82 145.34 31.46 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.57 ' CD1' HD12 ' A' ' 26' ' ' LEU . 8.5 p90 -154.96 161.5 29.3 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 111.029 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.502 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.4 Cg_endo -74.95 129.72 12.65 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.529 1.805 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.57 -26.81 63.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 74.1 m -56.68 -18.38 12.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.001 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.502 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 50.1 m-70 -93.85 -2.37 53.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.605 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.3 m -132.92 175.05 12.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.464 ' HB3' ' CG2' ' A' ' 13' ' ' THR . 0.1 OUTLIER -142.53 122.93 13.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.153 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.9 mt -59.14 132.47 54.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 28.9 mt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.415 HG21 ' N ' ' A' ' 10' ' ' ALA . 5.7 mm -105.85 145.64 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.415 ' N ' HG21 ' A' ' 9' ' ' ILE . . . -132.83 133.93 43.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -94.53 115.78 28.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.476 ' CG1' ' O ' ' A' ' 27' ' ' ALA . 86.5 t -54.55 133.83 17.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.471 ' CG2' ' HB3' ' A' ' 65' ' ' LYS . 53.9 p -114.33 -21.23 10.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.383 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.418 ' HB2' ' ND1' ' A' ' 63' ' ' HIS . 1.7 m -143.5 137.77 28.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 110.015 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.469 ' CB ' ' HD3' ' A' ' 28' ' ' PRO . . . -66.89 138.76 57.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.467 ' O ' ' N ' ' A' ' 26' ' ' LEU . 68.7 t80 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 111.032 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.447 ' CD1' ' HB3' ' A' ' 55' ' ' GLN . 24.1 tp -123.18 133.19 54.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.3 m -78.44 141.4 38.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.949 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.479 HD11 ' CD1' ' A' ' 59' ' ' PHE . 15.3 mt -114.68 146.49 40.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.476 ' O ' ' CG1' ' A' ' 12' ' ' VAL . . . -130.78 143.05 47.77 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.339 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.469 ' HD3' ' CB ' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -75.03 114.09 3.94 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.487 1.783 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.92 15.68 10.61 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.482 1.114 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.413 ' NE2' HD21 ' A' ' 47' ' ' LEU . 16.5 mt-30 -116.8 173.88 6.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 0.77 . . . . 0.0 110.276 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 44.0 mt -127.68 143.67 51.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.085 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.47 HD12 ' CD2' ' A' ' 26' ' ' LEU . 5.5 mt -134.58 143.65 37.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.251 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.421 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 3.8 tt -101.16 113.8 27.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.468 ' CG2' ' HE3' ' A' ' 37' ' ' LYS . 39.0 mm -65.98 125.33 22.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.35 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.7 mt -112.14 -32.81 6.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.06 144.79 31.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.568 ' HG2' ' CD1' ' A' ' 43' ' ' TRP . 70.2 mttt -132.19 146.75 52.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.402 ' OD1' ' C ' ' A' ' 38' ' ' ASN . 37.4 p-10 -138.7 168.85 18.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.2 t -80.61 -32.87 36.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.412 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.39 -41.96 9.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.145 . . . . 0.0 110.016 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 124.14 -0.26 8.95 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 75.4 m95 -97.02 132.8 42.47 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.568 ' CD1' ' HG2' ' A' ' 37' ' ' LYS . 35.1 m0 -116.99 142.3 47.13 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.516 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 36.8 tt0 -113.39 101.46 9.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.421 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -131.09 -163.67 11.0 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.459 1.1 . . . . 0.0 110.98 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -131.88 130.54 41.78 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.49 0.759 . . . . 0.0 110.281 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.441 ' HA ' ' CG1' ' A' ' 32' ' ' ILE . 0.3 OUTLIER -60.95 111.62 1.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.332 179.967 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.447 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.33 132.78 39.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 175.44 -173.22 46.11 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.516 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 74.2 m95 -99.58 145.53 27.43 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.485 ' C ' ' CD1' ' A' ' 59' ' ' PHE . 6.3 p90 -155.23 159.85 31.39 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 111.03 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 131.18 14.01 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.519 1.8 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.49 -14.15 61.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.5 t -71.57 -9.22 57.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.007 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.418 ' ND1' ' HB2' ' A' ' 16' ' ' TYR . 6.5 m-70 -97.34 -16.97 20.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.576 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.4 m -120.13 173.17 6.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.471 ' HB3' ' CG2' ' A' ' 13' ' ' THR . 4.6 ttpt -139.48 125.71 20.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.7 mt -58.49 134.21 56.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.9 mt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.99 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.3 mm -98.99 141.46 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -128.58 135.52 49.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.273 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -98.11 118.32 34.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.312 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.429 ' CG1' ' O ' ' A' ' 27' ' ' ALA . 78.9 t -60.94 131.98 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 79.9 p -114.78 -21.77 10.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.4 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -140.0 128.85 23.31 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.132 . . . . 0.0 110.005 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.484 ' CB ' ' HD3' ' A' ' 28' ' ' PRO . . . -62.6 147.29 49.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 28.7 t80 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.993 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.464 ' CD1' ' HB3' ' A' ' 55' ' ' GLN . 33.8 tp -119.0 129.81 55.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.3 p -71.91 134.48 46.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.994 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.571 HD13 ' CD1' ' A' ' 59' ' ' PHE . 11.2 mt -108.73 144.58 36.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.429 ' O ' ' CG1' ' A' ' 12' ' ' VAL . . . -130.63 142.8 46.83 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.484 ' HD3' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.0 111.81 3.41 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.454 1.765 . . . . 0.0 110.97 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.36 20.26 6.71 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.523 1.139 . . . . 0.0 111.023 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -117.65 -178.36 3.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 0.777 . . . . 0.0 110.315 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 70.7 mt -134.49 145.99 49.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.466 ' CD1' HD21 ' A' ' 26' ' ' LEU . 5.7 mt -140.32 145.52 25.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.108 . . . . 0.0 109.346 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.423 ' N ' HG21 ' A' ' 32' ' ' ILE . 0.6 OUTLIER -101.33 112.96 25.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 48.5 mm -65.21 123.24 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.408 HD13 ' NZ ' ' A' ' 56' ' ' LYS . 9.1 mt -109.35 -56.72 2.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.96 143.83 50.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.526 ' HD3' ' CE2' ' A' ' 43' ' ' TRP . 8.0 mttt -125.28 170.07 11.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.583 HD22 ' N ' ' A' ' 42' ' ' TRP . 0.5 OUTLIER -146.37 -173.08 4.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.7 p -112.51 36.68 3.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.402 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.493 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 0.2 OUTLIER -131.05 -40.96 1.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.027 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 134.49 -8.14 4.64 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.486 1.116 . . . . 0.0 110.966 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.583 ' N ' HD22 ' A' ' 38' ' ' ASN . 93.3 m95 -85.67 96.71 9.78 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.526 ' CE2' ' HD3' ' A' ' 37' ' ' LYS . 38.1 m0 -92.53 140.47 29.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 108.003 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.519 ' HB2' ' CD2' ' A' ' 58' ' ' TRP . 28.3 tt0 -108.87 102.53 11.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -137.92 -174.74 13.52 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.531 1.145 . . . . 0.0 111.034 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.515 ' CG ' ' HB2' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -118.32 152.43 35.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 0.791 . . . . 0.0 110.328 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.436 ' HB2' ' CB ' ' A' ' 55' ' ' GLN . 0.3 OUTLIER -81.94 112.84 19.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.093 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.255 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.464 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 41.0 mt-30 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.515 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . 3.2 tptm -134.33 126.38 29.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -168.1 -179.12 40.41 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.48 1.112 . . . . 0.0 110.949 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.519 ' CD2' ' HB2' ' A' ' 44' ' ' GLN . 75.3 m95 -92.4 117.97 30.46 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.571 ' CD1' HD13 ' A' ' 26' ' ' LEU . 14.6 p90 -130.12 160.12 66.99 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.5 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.3 Cg_endo -75.06 130.26 13.05 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.485 1.781 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.449 ' HB2' ' CD2' ' A' ' 43' ' ' TRP . . . -71.17 -16.41 62.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.9 m -69.77 -8.63 49.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.994 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.5 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 9.2 m-70 -98.09 -15.67 19.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.612 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.409 ' O ' ' O ' ' A' ' 61' ' ' ALA . 2.3 m -125.69 173.48 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.573 1.171 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -136.57 133.89 36.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.9 mt -67.92 134.3 50.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.8 mt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 180.0 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.5 mm -100.1 146.29 9.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -133.02 133.89 43.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 109.253 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.412 ' CB ' HD23 ' A' ' 67' ' ' LEU . 15.0 tt0 -94.48 117.25 29.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.271 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.437 ' CG1' ' O ' ' A' ' 27' ' ' ALA . 88.9 t -57.67 134.07 22.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.45 ' CG2' ' HB3' ' A' ' 65' ' ' LYS . 63.4 p -114.74 -20.39 10.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.433 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.2 m -143.59 136.26 27.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.053 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.455 ' CB ' ' HD3' ' A' ' 28' ' ' PRO . . . -66.7 145.57 55.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.484 ' O ' ' N ' ' A' ' 26' ' ' LEU . 75.1 t80 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.436 ' CD1' ' HB3' ' A' ' 55' ' ' GLN . 33.3 tp -116.14 130.74 56.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 55.9 p -74.88 141.03 44.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.16 . . . . 0.0 110.0 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.495 HD13 ' CD1' ' A' ' 59' ' ' PHE . 14.4 mt -112.1 152.93 27.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.437 ' O ' ' CG1' ' A' ' 12' ' ' VAL . . . -138.57 140.35 27.53 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.455 ' HD3' ' CB ' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.96 114.07 3.94 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.547 1.814 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.07 20.76 7.37 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -119.0 177.76 4.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 0.0 110.314 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 85.6 mt -131.59 138.66 48.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.313 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.418 HG22 ' N ' ' A' ' 33' ' ' LEU . 5.6 mt -131.23 152.38 37.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.43 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 11.1 tp -108.89 118.05 35.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.167 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 30.8 mm -70.65 124.5 26.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.9 -47.46 3.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.84 147.69 51.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -127.46 132.24 50.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.437 ' OD1' ' N ' ' A' ' 39' ' ' THR . 51.0 t-20 -98.46 155.88 17.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.437 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 7.7 t -82.26 4.01 25.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.4 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.414 ' HB2' ' ND2' ' A' ' 38' ' ' ASN . 0.4 OUTLIER -98.26 -31.65 11.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.021 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 132.94 -13.34 5.01 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.484 1.115 . . . . 0.0 110.966 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 80.8 m95 -79.08 129.5 34.52 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 43.0 m0 -114.87 141.54 47.78 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 108.011 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.527 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 49.9 tt0 -108.45 95.27 5.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.43 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -122.65 -179.75 15.94 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.529 1.143 . . . . 0.0 111.019 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.489 ' CG ' ' O ' ' A' ' 55' ' ' GLN . 3.0 tt0 -126.12 121.85 34.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 0.754 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.415 ' HA ' ' CG1' ' A' ' 32' ' ' ILE . 0.4 OUTLIER -51.09 126.54 16.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.6 mm-40 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 110.335 179.962 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.489 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -166.39 125.19 1.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -175.47 -174.56 42.16 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.482 1.114 . . . . 0.0 111.014 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.527 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 85.1 m95 -99.67 114.61 27.81 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.495 ' CD1' HD13 ' A' ' 26' ' ' LEU . 12.3 p90 -122.93 160.83 47.63 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.469 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.1 Cg_endo -75.01 129.94 12.8 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.485 1.782 . . . . 0.0 110.999 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.16 -19.51 62.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 109.292 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.0 m -65.29 -10.88 36.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.962 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.469 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 10.7 m-70 -95.94 -21.93 17.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.595 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.6 m -114.25 172.75 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.271 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.45 ' HB3' ' CG2' ' A' ' 13' ' ' THR . 0.8 OUTLIER -143.4 125.4 15.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.6 mt -54.69 134.12 47.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.412 HD23 ' CB ' ' A' ' 11' ' ' GLN . 9.6 mt . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.6 mm -88.19 140.86 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -124.82 139.8 53.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -101.2 117.7 35.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.282 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.443 ' CG1' ' O ' ' A' ' 27' ' ' ALA . 87.3 t -60.22 127.41 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 55.0 p -111.89 -9.57 14.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 0.0 110.381 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -155.14 132.79 11.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 110.007 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.463 ' CB ' ' HD3' ' A' ' 28' ' ' PRO . . . -63.34 147.72 50.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 57.3 t80 . . . . . 0 C--N 1.326 -0.433 0 O-C-N 124.516 1.135 . . . . 0.0 110.946 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.452 ' CD1' ' HB3' ' A' ' 55' ' ' GLN . 9.9 tp -139.73 126.43 20.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.15 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.6 m -74.92 123.46 25.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 110.022 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.556 HD13 ' CD1' ' A' ' 59' ' ' PHE . 9.0 mt -103.83 148.54 26.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.443 ' O ' ' CG1' ' A' ' 12' ' ' VAL . . . -132.26 144.32 52.57 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.463 ' HD3' ' CB ' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.05 111.62 3.37 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.512 1.796 . . . . 0.0 111.003 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.69 19.97 7.12 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.412 ' NE2' HD11 ' A' ' 47' ' ' LEU . 13.0 mt-30 -118.53 169.73 9.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 110.268 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 81.4 mt -122.46 142.14 50.88 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.481 ' CG1' ' HA ' ' A' ' 47' ' ' LEU . 6.9 mt -135.23 153.6 34.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.452 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 6.8 tp -110.73 115.6 29.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.439 ' CG2' ' HE3' ' A' ' 37' ' ' LYS . 38.7 mm -67.43 123.15 19.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.473 ' CD1' ' HA2' ' A' ' 45' ' ' GLY . 1.0 OUTLIER -111.26 -33.91 6.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 109.275 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -147.13 153.69 40.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.439 ' HD3' ' CE2' ' A' ' 43' ' ' TRP . 13.3 mttp -129.08 163.0 26.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -138.56 152.57 48.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.158 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 41.1 p -68.03 -32.38 72.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.431 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.5 t -62.12 -45.36 93.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.032 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 140.68 -13.18 2.93 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -73.21 127.17 31.84 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.439 ' CE2' ' HD3' ' A' ' 37' ' ' LYS . 42.9 m0 -115.26 142.99 45.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 108.044 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.524 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 46.3 tt0 -111.88 97.97 7.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 110.262 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.473 ' HA2' ' CD1' ' A' ' 35' ' ' LEU . . . -131.42 -172.47 13.1 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.458 1.099 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.414 ' N ' HD11 ' A' ' 35' ' ' LEU . 1.6 tt0 -128.3 134.59 48.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 0.792 . . . . 0.0 110.329 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.481 ' HA ' ' CG1' ' A' ' 32' ' ' ILE . 7.7 tp -69.93 140.5 53.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.281 179.994 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.452 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 1.7 mp0 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.69 128.65 8.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.31 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.412 ' CA ' ' HB2' ' A' ' 24' ' ' LEU . . . 176.77 -171.12 44.04 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.54 1.15 . . . . 0.0 111.008 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.524 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 82.0 m95 -94.4 138.36 32.44 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.556 ' CD1' HD13 ' A' ' 26' ' ' LEU . 5.9 p90 -151.04 158.51 34.71 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.438 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.4 Cg_endo -74.98 131.72 14.64 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.497 1.788 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.17 -12.07 60.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -72.39 -13.5 61.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.993 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.438 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 8.2 m-70 -92.77 -20.46 20.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.57 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.4 m -119.94 175.39 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -136.96 132.69 34.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.3 mt -67.14 134.13 51.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.8 mt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.994 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.45 HD11 ' CD1' ' A' ' 33' ' ' LEU . 10.7 mm -92.39 144.06 10.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -134.86 130.22 35.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.418 ' CB ' HD22 ' A' ' 67' ' ' LEU . 26.3 tt0 -93.56 121.22 34.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.513 ' CG1' ' O ' ' A' ' 27' ' ' ALA . 99.8 t -58.26 136.29 21.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.465 ' CG2' ' HB3' ' A' ' 65' ' ' LYS . 63.0 p -115.2 -28.31 6.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.374 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -140.12 133.08 29.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.039 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.498 ' CB ' ' HD3' ' A' ' 28' ' ' PRO . . . -61.97 142.22 57.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 56.0 t80 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 111.028 179.998 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.426 ' CD1' ' HB3' ' A' ' 55' ' ' GLN . 23.2 tp -124.5 129.4 50.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 86.6 p -73.6 132.07 42.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.989 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.583 HD11 ' CD1' ' A' ' 59' ' ' PHE . 10.7 mt -110.84 150.15 29.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.513 ' O ' ' CG1' ' A' ' 12' ' ' VAL . . . -135.59 145.76 54.65 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.498 ' HD3' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.97 110.82 3.19 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.47 1.774 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 120.09 -4.09 12.69 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.472 ' C ' ' CD2' ' A' ' 31' ' ' LEU . 17.7 mt-30 -109.73 150.02 28.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.746 . . . . 0.0 110.307 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.618 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -106.74 153.89 21.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.471 ' CG1' ' HA ' ' A' ' 47' ' ' LEU . 4.4 mt -136.45 136.74 48.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.496 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 5.7 tp -87.98 115.04 25.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 33.7 mm -67.94 132.09 32.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.582 1.176 . . . . 0.0 109.283 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.447 HD12 ' CA ' ' A' ' 45' ' ' GLY . 0.8 OUTLIER -114.72 -42.21 3.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -138.95 166.03 25.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 48.1 mttt -133.01 156.05 48.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.436 ' OD1' ' CB ' ' A' ' 40' ' ' SER . 18.2 t-20 -128.56 159.27 36.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.9 p -80.34 -22.78 41.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 110.404 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.436 ' CB ' ' OD1' ' A' ' 38' ' ' ASN . 7.3 m -76.43 -27.67 56.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.021 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 122.42 -1.08 10.43 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.507 1.13 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.406 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 91.0 m95 -81.68 121.05 25.89 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 40.0 m0 -109.29 142.74 39.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 108.002 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.565 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 40.1 tt0 -110.93 98.65 7.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.31 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.496 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -126.34 -171.26 13.1 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.483 1.114 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -130.87 127.08 37.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 0.785 . . . . 0.0 110.307 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.471 ' HA ' ' CG1' ' A' ' 32' ' ' ILE . 1.0 OUTLIER -50.06 128.86 19.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.304 -179.968 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.426 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -157.45 123.75 4.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -173.86 -175.67 41.71 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.474 1.109 . . . . 0.0 110.989 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.565 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 86.2 m95 -99.58 129.03 45.7 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.583 ' CD1' HD11 ' A' ' 26' ' ' LEU . 5.7 p90 -138.8 160.85 61.38 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.466 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.3 Cg_endo -74.99 131.44 14.31 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.516 1.798 . . . . 0.0 111.017 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.93 -17.45 62.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.9 -10.42 53.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.006 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.466 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 8.6 m-70 -96.95 -25.02 15.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.598 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.5 m -111.85 175.35 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.465 ' HB3' ' CG2' ' A' ' 13' ' ' THR . 0.6 OUTLIER -142.01 125.87 17.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.6 mt -61.92 133.47 55.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.454 HD13 ' CD1' ' A' ' 31' ' ' LEU . 19.1 mt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.424 1.078 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.2 mm -90.99 146.64 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -129.79 132.01 46.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -97.15 120.14 36.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.407 ' CB ' ' O ' ' A' ' 27' ' ' ALA . 85.2 t -56.78 133.62 21.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.45 ' CG2' ' HB3' ' A' ' 65' ' ' LYS . 71.5 p -117.08 -10.76 10.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.411 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -155.8 131.85 10.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.972 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.472 ' CB ' ' HD3' ' A' ' 28' ' ' PRO . . . -64.29 143.39 57.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 38.7 t80 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 -179.958 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.462 ' CD1' ' HB3' ' A' ' 55' ' ' GLN . 7.4 tp -129.62 132.3 46.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.2 p -76.64 136.97 39.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.953 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.535 HD12 ' CD1' ' A' ' 59' ' ' PHE . 17.5 mt -111.76 146.7 37.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.407 ' O ' ' CB ' ' A' ' 12' ' ' VAL . . . -132.4 141.77 42.49 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.472 ' HD3' ' CB ' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.98 114.75 4.1 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.446 1.761 . . . . 0.0 110.974 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.35 19.17 8.12 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 0.0 110.94 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -118.65 178.9 4.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 0.755 . . . . 0.0 110.267 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.8 mt -132.98 138.56 46.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.265 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.495 ' CG1' ' HA ' ' A' ' 47' ' ' LEU . 8.7 mt -134.73 140.07 46.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.419 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 3.1 tm? -95.07 129.61 42.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.4 mm -79.34 116.39 23.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.467 ' CD1' ' HA2' ' A' ' 45' ' ' GLY . 0.6 OUTLIER -102.89 -54.73 2.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -127.79 153.58 46.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.8 mttp -126.09 169.03 13.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.329 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -143.47 150.48 39.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 12.9 t -83.83 52.41 2.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.409 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.62 -46.07 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.002 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.93 -19.36 1.42 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.496 1.122 . . . . 0.0 110.963 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 89.4 m95 -79.55 126.62 31.11 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.423 ' CD2' ' HB1' ' A' ' 61' ' ' ALA . 38.9 m0 -117.49 141.08 48.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 108.004 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.528 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 47.4 tt0 -104.67 95.64 6.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.467 ' HA2' ' CD1' ' A' ' 35' ' ' LEU . . . -128.23 -173.05 13.34 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.52 1.137 . . . . 0.0 110.975 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -132.69 132.86 42.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 110.303 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.495 ' HA ' ' CG1' ' A' ' 32' ' ' ILE . 10.0 tp -65.45 137.81 57.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 93.5 mm-40 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.301 179.984 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.462 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.19 127.92 11.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.425 ' N ' ' HB2' ' A' ' 24' ' ' LEU . . . -179.34 -166.02 34.47 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.521 1.138 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.528 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 87.1 m95 -100.29 120.35 39.79 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.535 ' CD1' HD12 ' A' ' 26' ' ' LEU . 5.9 p90 -132.52 158.67 75.07 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.14 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.429 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.2 Cg_endo -75.06 132.27 15.16 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.481 1.779 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.423 ' HB1' ' CD2' ' A' ' 43' ' ' TRP . . . -71.32 -15.77 62.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.18 -23.43 64.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 110.034 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.429 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 14.5 m-70 -86.08 -13.05 48.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.597 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.408 ' O ' ' O ' ' A' ' 61' ' ' ALA . 1.4 m -122.81 175.66 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.45 ' HB3' ' CG2' ' A' ' 13' ' ' THR . 0.1 OUTLIER -143.34 122.35 12.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.9 mt -59.94 133.11 55.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 28.3 mt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 -179.994 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.326 -0.249 . . . . 0.0 110.326 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.9 mm -80.67 145.86 8.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -123.86 146.33 48.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.349 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -108.32 111.11 22.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 110.292 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.415 ' CG1' ' O ' ' A' ' 27' ' ' ALA . 86.7 t -55.72 131.52 18.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.317 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 69.2 p -115.98 -14.9 11.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.39 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.98 128.91 15.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.018 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.488 ' CB ' ' HD3' ' A' ' 28' ' ' PRO . . . -62.89 145.34 55.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 22.2 t80 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 111.021 179.976 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.455 ' CD1' ' HB3' ' A' ' 55' ' ' GLN . 10.3 tp -130.15 129.24 43.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 21.2 m -71.46 138.15 48.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.0 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.584 HD11 ' CD1' ' A' ' 59' ' ' PHE . 12.8 mt -118.27 142.34 47.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.415 ' O ' ' CG1' ' A' ' 12' ' ' VAL . . . -128.59 144.76 53.4 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.488 ' HD3' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.97 111.84 3.42 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.524 1.802 . . . . 0.0 111.027 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 113.0 17.33 7.9 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.496 1.122 . . . . 0.0 110.992 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.403 ' NE2' HD11 ' A' ' 47' ' ' LEU . 12.0 mt-30 -114.52 175.67 5.38 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 0.732 . . . . 0.0 110.304 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.0 mt -131.55 141.61 49.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.492 ' CG1' ' HA ' ' A' ' 47' ' ' LEU . 6.6 mt -135.52 149.9 28.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.415 ' N ' HG21 ' A' ' 32' ' ' ILE . 5.5 tp -104.07 115.95 31.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 51.1 mm -67.47 122.87 19.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.457 ' CD1' ' HA2' ' A' ' 45' ' ' GLY . 8.0 mt -107.14 -50.38 3.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.62 158.19 43.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 72.0 mttt -129.01 167.89 16.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.44 ' OD1' ' N ' ' A' ' 39' ' ' THR . 35.6 t30 -138.7 163.1 33.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.44 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 3.4 p -93.25 43.89 1.13 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 110.428 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.408 ' HB2' ' ND2' ' A' ' 38' ' ' ASN . 37.8 m -143.13 -42.63 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.035 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 145.1 -15.96 1.92 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.558 1.161 . . . . 0.0 111.0 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -76.93 123.35 26.17 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 38.5 m0 -115.97 143.18 45.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 107.987 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.476 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 29.4 tt0 -108.97 110.95 22.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.133 . . . . 0.0 110.272 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.457 ' HA2' ' CD1' ' A' ' 35' ' ' LEU . . . -152.4 -178.84 27.47 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.561 1.163 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -117.76 154.55 31.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 0.761 . . . . 0.0 110.327 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.492 ' HA ' ' CG1' ' A' ' 32' ' ' ILE . 10.3 tp -85.86 138.67 31.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 52.3 mm-40 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 179.998 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.455 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.4 tmtt? -136.32 134.46 37.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.425 ' N ' ' HB2' ' A' ' 24' ' ' LEU . . . 176.78 -179.33 47.81 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.476 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 80.2 m95 -89.67 120.26 30.79 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.584 ' CD1' HD11 ' A' ' 26' ' ' LEU . 9.8 p90 -132.18 158.54 75.28 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.4 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.4 Cg_endo -74.95 131.01 13.86 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.471 1.774 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.5 -14.57 62.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 62.5 m -70.21 -12.87 61.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.041 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.4 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 8.7 m-70 -95.11 -11.37 28.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.556 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.2 m -128.7 174.81 11.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.2 ptmt -139.11 123.72 18.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.8 mt -57.45 133.22 55.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.319 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.7 mt . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.941 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.41 HG21 ' CD1' ' A' ' 67' ' ' LEU . 5.9 mm -90.33 144.65 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -127.28 137.84 52.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -103.78 116.34 32.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.429 ' CG1' ' O ' ' A' ' 27' ' ' ALA . 89.6 t -57.11 130.97 20.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 48.7 p -115.63 -15.36 11.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.407 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -148.31 129.4 14.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.982 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.47 ' CB ' ' HD3' ' A' ' 28' ' ' PRO . . . -62.24 145.45 53.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.273 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 71.1 t80 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 179.984 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.46 ' CD1' ' HB3' ' A' ' 55' ' ' GLN . 11.3 tp -129.65 132.55 46.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.5 m -77.53 130.76 37.37 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 110.007 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.573 HD12 ' CD1' ' A' ' 59' ' ' PHE . 20.0 mt -109.47 145.22 36.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.429 ' O ' ' CG1' ' A' ' 12' ' ' VAL . . . -129.56 142.34 44.94 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.47 ' HD3' ' CB ' ' A' ' 15' ' ' ALA . 18.1 Cg_endo -75.04 113.69 3.85 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.498 1.788 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.6 19.87 7.63 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.416 ' NE2' HD12 ' A' ' 47' ' ' LEU . 17.0 mt-30 -120.65 172.79 7.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 0.738 . . . . 0.0 110.292 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.9 mt -124.33 142.13 51.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.34 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.475 ' CG1' ' HA ' ' A' ' 47' ' ' LEU . 7.1 mt -136.96 139.01 45.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.434 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 2.1 tm? -94.96 128.23 41.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.356 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.456 HG23 ' CE ' ' A' ' 37' ' ' LYS . 36.6 mm -77.64 122.17 31.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.321 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.462 ' CD1' ' HA2' ' A' ' 45' ' ' GLY . 0.6 OUTLIER -107.4 -45.53 4.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.98 146.3 38.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.456 ' CE ' HG23 ' A' ' 34' ' ' ILE . 2.8 mtmt -128.39 155.07 45.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.421 ' ND2' ' HB2' ' A' ' 40' ' ' SER . 26.1 p-10 -133.5 153.13 51.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.457 ' O ' ' CG2' ' A' ' 39' ' ' THR . 8.1 t -81.66 50.87 1.57 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.383 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.421 ' HB2' ' ND2' ' A' ' 38' ' ' ASN . 0.1 OUTLIER -140.28 -44.72 0.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.964 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 140.21 -10.71 3.03 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.5 1.125 . . . . 0.0 110.974 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -90.6 113.13 25.08 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.407 ' CE2' ' HD3' ' A' ' 37' ' ' LYS . 35.6 m0 -105.07 141.38 36.74 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.01 -1.108 . . . . 0.0 108.01 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.527 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 52.8 tt0 -106.11 94.14 5.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.462 ' HA2' ' CD1' ' A' ' 35' ' ' LEU . . . -127.5 -173.52 13.51 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.469 1.106 . . . . 0.0 110.978 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -131.06 136.37 48.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 0.75 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.475 ' HA ' ' CG1' ' A' ' 32' ' ' ILE . 9.6 tp -69.35 137.48 52.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.251 -179.938 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.46 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 1.2 mp0 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.46 125.44 5.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -179.39 -171.93 43.0 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.492 1.12 . . . . 0.0 111.046 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.527 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 80.2 m95 -96.84 116.8 29.79 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.573 ' CD1' HD12 ' A' ' 26' ' ' LEU . 5.4 p90 -126.61 159.38 63.93 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.961 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.485 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.3 Cg_endo -75.07 132.13 14.99 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.483 1.781 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 64' ' ' VAL . . . -71.01 -17.2 62.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 74.5 m -69.73 -9.77 55.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.035 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.485 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 12.0 m-70 -99.35 -13.8 19.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.621 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' A' ' 61' ' ' ALA . 1.5 m -126.4 175.16 8.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.17 132.94 29.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.3 mt -67.96 133.48 49.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.41 ' CD1' HG21 ' A' ' 9' ' ' ILE . 13.2 mt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.095 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 23.2 mm -110.53 155.24 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.569 ' HA ' ' CD1' ' A' ' 67' ' ' LEU . . . -149.91 134.22 17.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -94.57 127.78 40.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.337 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.405 ' CG1' ' O ' ' A' ' 27' ' ' ALA . 96.2 t -66.11 130.84 31.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 51.0 p -113.25 -24.32 9.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.381 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -137.19 130.46 31.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.992 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.487 ' CB ' ' HD3' ' A' ' 28' ' ' PRO . . . -65.05 142.26 58.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.536 1.148 . . . . 0.0 109.326 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.423 ' HB2' ' ND1' ' A' ' 63' ' ' HIS . 64.1 t80 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.968 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.332 -0.248 . . . . 0.0 110.332 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.449 ' CD1' ' HB3' ' A' ' 55' ' ' GLN . 19.4 tp -122.46 129.77 52.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 90.1 p -74.24 122.18 22.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.996 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.562 HD12 ' CD1' ' A' ' 59' ' ' PHE . 11.5 mt -98.2 149.27 22.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.405 ' O ' ' CG1' ' A' ' 12' ' ' VAL . . . -133.36 140.84 38.37 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.487 ' HD3' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.96 113.76 3.87 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.478 1.778 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.35 20.67 6.91 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.499 1.125 . . . . 0.0 111.031 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -120.79 -178.62 3.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 0.74 . . . . 0.0 110.327 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 58.5 mt -133.31 145.85 50.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.44 ' CG1' ' HA ' ' A' ' 47' ' ' LEU . 6.0 mt -138.05 146.01 27.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.417 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 6.8 tp -103.34 115.35 30.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.467 HG23 ' CD ' ' A' ' 37' ' ' LYS . 35.5 mm -66.52 123.15 18.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.245 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.415 ' CD1' ' HA2' ' A' ' 45' ' ' GLY . 0.4 OUTLIER -108.2 -47.09 3.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.26 138.36 46.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.467 ' CD ' HG23 ' A' ' 34' ' ' ILE . 3.2 mtmp? -124.29 151.53 44.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 42.8 p-10 -141.24 169.04 18.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.1 t -79.79 -33.2 40.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 110.427 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.3 -44.47 11.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.015 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 126.27 -0.24 7.55 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.45 1.094 . . . . 0.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 80.7 m95 -96.32 128.77 43.54 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.523 ' CD2' ' HB1' ' A' ' 61' ' ' ALA . 36.5 m0 -112.8 142.07 45.86 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.514 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 54.6 tt0 -109.58 93.83 4.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.32 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.417 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -121.34 -175.76 15.16 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.568 1.167 . . . . 0.0 111.036 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 55' ' ' GLN . 0.8 OUTLIER -127.55 122.57 33.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 0.747 . . . . 0.0 110.259 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.44 ' HA ' ' CG1' ' A' ' 32' ' ' ILE . 0.4 OUTLIER -50.23 117.97 2.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 62.8 mm-40 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.334 179.995 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.5 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 2.0 mm-40 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.3 123.66 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -175.45 -179.64 46.11 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.452 1.095 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.514 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 73.9 m95 -94.85 118.35 31.63 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.562 ' CD1' HD12 ' A' ' 26' ' ' LEU . 11.2 p90 -128.62 159.99 65.1 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.522 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.4 Cg_endo -74.97 130.92 13.75 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.503 1.791 . . . . 0.0 110.998 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.523 ' HB1' ' CD2' ' A' ' 43' ' ' TRP . . . -70.29 -18.87 63.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.5 m -67.3 -9.3 39.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.137 . . . . 0.0 110.001 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.522 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 8.2 m-70 -97.03 -18.31 19.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.619 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.1 m -121.69 175.79 4.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -137.38 135.84 37.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.7 mt -78.34 132.5 37.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.315 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.569 ' CD1' ' HA ' ' A' ' 10' ' ' ALA . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.3 mm -102.2 142.02 17.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -127.87 134.57 49.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.255 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -96.46 114.96 26.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.513 ' CG1' ' O ' ' A' ' 27' ' ' ALA . 89.9 t -58.08 135.27 22.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 71.9 p -115.82 -26.34 7.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.386 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.417 ' HB2' ' ND1' ' A' ' 63' ' ' HIS . 1.8 m -133.42 138.17 46.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.113 . . . . 0.0 110.018 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.479 ' CB ' ' HD3' ' A' ' 28' ' ' PRO . . . -69.75 142.63 53.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.484 ' O ' ' N ' ' A' ' 26' ' ' LEU . 72.0 t80 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.976 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 58' ' ' TRP . 16.5 tp -141.7 129.65 21.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 m -74.76 141.67 44.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.133 . . . . 0.0 110.0 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.572 HD13 ' CD1' ' A' ' 59' ' ' PHE . 22.1 mt -116.69 153.07 32.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.513 ' O ' ' CG1' ' A' ' 12' ' ' VAL . . . -138.91 143.73 38.48 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.479 ' HD3' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.06 112.41 3.55 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.446 1.761 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.71 17.47 7.99 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.463 1.102 . . . . 0.0 111.016 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -114.42 175.44 5.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 0.778 . . . . 0.0 110.291 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 80.1 mt -131.23 139.43 49.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.454 HD12 ' CD2' ' A' ' 26' ' ' LEU . 5.4 mt -131.32 152.64 37.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 tt -111.4 114.01 26.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.412 HG22 ' CE ' ' A' ' 37' ' ' LYS . 41.0 mm -64.14 126.85 23.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.2 mt -114.57 -49.25 2.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -134.0 159.12 41.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.359 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.412 ' CE ' HG22 ' A' ' 34' ' ' ILE . 39.7 mttt -131.52 143.42 50.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 109.365 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -105.14 -0.45 26.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 81.1 p 46.77 23.83 0.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.385 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.83 6.72 6.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.023 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 108.93 -18.15 31.73 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.473 1.108 . . . . 0.0 111.016 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 92.9 m95 -95.59 126.26 40.75 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 32.0 m0 -118.57 141.19 48.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 107.983 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.517 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 40.3 tt0 -108.54 101.44 10.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.328 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -133.88 -171.13 12.52 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.468 1.105 . . . . 0.0 111.032 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -125.17 131.24 53.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 0.731 . . . . 0.0 110.324 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.432 ' HA ' ' CG1' ' A' ' 32' ' ' ILE . 0.5 OUTLIER -62.98 113.07 2.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 -179.993 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.267 -0.272 . . . . 0.0 110.267 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.23 128.2 33.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -178.69 -170.59 40.92 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.517 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 83.9 m95 -102.21 144.23 31.01 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.572 ' CD1' HD13 ' A' ' 26' ' ' LEU . 19.7 p90 -155.27 159.46 31.71 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 111.036 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 130.48 13.27 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 110.962 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.66 -15.18 62.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.82 -12.75 61.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.988 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.417 ' ND1' ' HB2' ' A' ' 14' ' ' SER . 6.1 m-70 -93.24 -16.8 24.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.621 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.1 m -121.0 173.23 6.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.3 ptmt -138.76 127.67 23.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.8 mt -59.62 133.88 56.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.8 mt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.999 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.4 HG23 ' N ' ' A' ' 10' ' ' ALA . 17.0 mm -110.34 147.06 14.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.458 ' HB3' ' CG2' ' A' ' 64' ' ' VAL . . . -131.99 128.75 39.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.255 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -90.19 114.38 26.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.323 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.422 ' HB ' ' O ' ' A' ' 27' ' ' ALA . 90.3 t -54.55 137.65 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 65.2 p -114.62 -27.74 7.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.396 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.414 ' HB2' ' ND1' ' A' ' 63' ' ' HIS . 16.5 m -134.39 147.0 50.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.014 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.22 138.26 40.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.502 ' O ' ' N ' ' A' ' 26' ' ' LEU . 60.1 t80 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 111.016 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.432 ' HA ' ' O ' ' A' ' 58' ' ' TRP . 69.6 mt-30 . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.471 ' CD1' ' HB3' ' A' ' 55' ' ' GLN . 10.3 tp -120.31 129.01 53.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.17 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.402 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -68.82 124.58 24.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 110.015 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.541 HD11 ' CD1' ' A' ' 59' ' ' PHE . 21.4 mt -103.32 156.1 17.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.422 ' O ' ' HB ' ' A' ' 12' ' ' VAL . . . -143.07 139.72 17.08 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 111.38 3.31 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.513 1.796 . . . . 0.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 115.02 20.59 5.59 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.503 1.127 . . . . 0.0 110.963 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -120.8 -178.5 3.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 0.758 . . . . 0.0 110.319 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.8 mt -135.75 140.63 44.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.441 ' CG1' ' HA ' ' A' ' 47' ' ' LEU . 5.0 mt -132.83 152.58 36.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.426 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 5.3 tp -107.06 116.74 32.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.401 HG23 ' NZ ' ' A' ' 37' ' ' LYS . 42.9 mm -68.49 119.99 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.426 HD11 ' N ' ' A' ' 46' ' ' GLU . 0.6 OUTLIER -107.1 -39.0 5.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.262 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.51 155.03 42.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.419 ' HD3' ' CE2' ' A' ' 43' ' ' TRP . 25.2 mttm -128.48 166.23 19.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.423 ' ND2' ' HB2' ' A' ' 40' ' ' SER . 41.1 t30 -147.29 132.55 18.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 63.3 p -44.53 -46.33 9.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.366 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.423 ' HB2' ' ND2' ' A' ' 38' ' ' ASN . 0.4 OUTLIER -46.83 -32.62 3.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.163 . . . . 0.0 110.004 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 122.64 -16.53 8.4 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.558 1.161 . . . . 0.0 111.003 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -67.51 127.25 32.03 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.419 ' CE2' ' HD3' ' A' ' 37' ' ' LYS . 45.0 m0 -114.52 140.95 48.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 107.996 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.521 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 52.6 tt0 -109.77 94.22 4.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.426 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -123.31 -177.9 15.28 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.426 ' N ' HD11 ' A' ' 35' ' ' LEU . 1.4 tt0 -126.31 125.68 42.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 0.748 . . . . 0.0 110.291 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.441 ' HA ' ' CG1' ' A' ' 32' ' ' ILE . 0.6 OUTLIER -55.99 130.66 44.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 179.994 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.471 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 1.7 mp0 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.318 -0.252 . . . . 0.0 110.318 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.78 125.44 3.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -172.93 -175.74 41.0 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.471 1.107 . . . . 0.0 110.967 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.521 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 80.9 m95 -101.04 108.97 20.81 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.541 ' CD1' HD11 ' A' ' 26' ' ' LEU . 14.5 p90 -118.22 156.61 50.48 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 111.016 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 132.66 15.67 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.511 1.795 . . . . 0.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.3 -9.68 58.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.8 t -76.49 -15.86 59.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.026 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.417 ' ND1' ' HB2' ' A' ' 16' ' ' TYR . 3.6 m-70 -92.08 -8.81 44.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.58 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.458 ' CG2' ' HB3' ' A' ' 10' ' ' ALA . 2.4 m -132.66 176.02 10.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.09 127.86 21.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.7 mt -57.4 143.87 38.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.251 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 mt . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.363 179.954 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.5 p -175.22 124.82 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 110.03 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.0 p -146.06 109.54 4.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.973 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.5 -75.37 0.02 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.4 m -146.09 101.95 3.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 0.771 . . . . 0.0 109.969 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.4 p -164.32 111.68 1.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.017 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.86 -168.71 33.61 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.466 1.104 . . . . 0.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -92.45 113.33 25.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 0.809 . . . . 0.0 110.31 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 15.3 mm -93.81 149.25 4.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -134.67 139.3 45.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 109.276 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -101.13 119.95 39.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.407 ' CG1' ' O ' ' A' ' 27' ' ' ALA . 98.8 t -59.3 130.94 23.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.458 ' CG2' ' HB3' ' A' ' 65' ' ' LYS . 72.9 p -113.97 -16.95 12.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 110.384 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -148.29 129.98 15.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 109.94 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.478 ' CB ' ' HD3' ' A' ' 28' ' ' PRO . . . -62.11 146.7 49.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.489 ' CE2' ' HA ' ' A' ' 18' ' ' ALA . 45.6 t80 -138.39 154.72 48.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 111.026 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 62.4 t -121.74 93.79 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.489 ' HA ' ' CE2' ' A' ' 16' ' ' TYR . . . -53.65 127.61 26.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.3 m -60.76 -61.19 2.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.02 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 22' ' ' GLU . . . 162.15 -41.24 0.38 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.55 1.156 . . . . 0.0 110.966 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.41 85.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 0.784 . . . . 0.0 110.0 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER 43.21 45.83 4.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -109.07 153.04 24.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.349 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 22.4 tp -122.14 130.01 52.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.167 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.1 p -74.62 137.55 42.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 110.004 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.557 HD12 ' CD1' ' A' ' 59' ' ' PHE . 13.6 mt -112.96 140.59 47.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.407 ' O ' ' CG1' ' A' ' 12' ' ' VAL . . . -126.83 142.43 43.43 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.478 ' HD3' ' CB ' ' A' ' 15' ' ' ALA . 17.9 Cg_endo -75.07 113.36 3.77 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.484 1.781 . . . . 0.0 110.974 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.24 20.47 7.06 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 0.0 110.962 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -119.69 179.93 4.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.771 . . . . 0.0 110.307 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 66.4 mt -132.25 144.8 50.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 109.281 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.449 ' CG1' ' HA ' ' A' ' 47' ' ' LEU . 6.1 mt -137.85 145.79 28.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.348 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.417 ' N ' HG23 ' A' ' 32' ' ' ILE . 8.4 tp -102.85 118.03 35.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 33.0 mm -70.66 123.5 24.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.1 -41.25 4.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.098 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.4 ttmt -140.18 147.53 40.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.098 . . . . 0.0 109.309 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.473 ' HD3' ' CE2' ' A' ' 43' ' ' TRP . 4.8 mttp -128.96 147.74 50.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.446 ' OD1' ' N ' ' A' ' 39' ' ' THR . 49.8 t-20 -115.46 156.69 25.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.446 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 23.0 p -78.78 1.37 23.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.408 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.24 -35.15 10.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.011 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 136.57 -23.58 3.25 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.547 1.154 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 87.9 m95 -67.21 124.9 24.4 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.473 ' CE2' ' HD3' ' A' ' 37' ' ' LYS . 43.9 m0 -115.07 141.44 48.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 108.007 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.525 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 51.1 tt0 -107.02 95.26 5.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.318 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -122.65 -179.94 15.99 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.488 1.118 . . . . 0.0 110.959 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 55' ' ' GLN . 4.2 tt0 -125.33 120.28 30.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 0.781 . . . . 0.0 110.282 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.454 ' CD2' ' HB3' ' A' ' 49' ' ' ALA . 0.3 OUTLIER -51.12 115.63 1.64 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 53.4 mm-40 -90.0 36.42 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.262 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.454 ' HB3' ' CD2' ' A' ' 47' ' ' LEU . . . -124.24 147.56 47.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -46.29 122.03 3.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.258 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -152.4 144.01 11.02 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.506 1.129 . . . . 0.0 110.977 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -42.36 -51.5 4.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 0.766 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.06 133.5 47.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.3 mtt85 -42.34 109.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 110.298 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.498 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 1.4 mp0 -71.19 130.6 41.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.03 125.29 4.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -174.48 -170.69 37.97 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.523 1.139 . . . . 0.0 110.975 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.525 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 82.1 m95 -100.03 128.45 46.11 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.557 ' CD1' HD12 ' A' ' 26' ' ' LEU . 7.3 p90 -138.95 159.58 66.39 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 111.022 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.504 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.4 Cg_endo -74.98 131.28 14.13 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.479 1.779 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.407 ' HB3' ' CD2' ' A' ' 43' ' ' TRP . . . -72.08 -11.35 60.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.6 -12.01 60.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.001 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.504 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 9.9 m-70 -94.78 -19.26 20.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 109.626 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.9 m -116.93 174.2 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.458 ' HB3' ' CG2' ' A' ' 13' ' ' THR . 0.8 OUTLIER -141.51 125.38 17.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.5 mt -58.68 133.38 55.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.6 mt -89.46 15.7 8.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.082 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 38.04 71.56 0.22 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.119 . . . . 0.0 110.966 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 64.37 6.05 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.487 1.783 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 t -178.18 76.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.962 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 44.1 p -163.8 166.55 21.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.959 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -124.57 84.96 2.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 110.285 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 6.9 mtp-105 61.41 92.91 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.3 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -43.95 105.85 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.89 165.64 24.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.15 . . . . 0.0 110.011 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 155.1 -80.76 0.18 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 66.23 6.04 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.44 166.7 1.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 110.017 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.4 t -114.24 -58.06 2.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 110.001 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 -179.953 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.1 p -148.92 108.6 4.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 0.775 . . . . 0.0 109.983 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t -171.46 -59.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.016 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.32 -90.75 0.3 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 70.69 -66.22 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 0.775 . . . . 0.0 110.007 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.2 p -172.28 148.81 2.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.972 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.31 164.77 2.88 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.471 1.107 . . . . 0.0 110.965 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.3 118.77 15.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 110.268 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.3 mm -92.88 150.13 3.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -134.8 138.21 44.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -99.86 113.92 26.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.8 t -54.67 134.87 17.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 73.0 p -118.96 -7.79 10.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.449 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.0 129.28 6.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.978 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.467 ' CB ' ' HD3' ' A' ' 28' ' ' PRO . . . -62.35 147.44 48.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -139.95 155.61 47.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 111.027 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 67.2 t -125.41 100.91 7.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.445 1.091 . . . . 0.0 109.328 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.29 157.25 0.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.6 m -108.64 -56.26 2.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 109.995 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -89.47 -160.78 36.84 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.463 1.102 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.15 -35.69 13.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 0.753 . . . . 0.0 109.986 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.468 ' O ' ' CA ' ' A' ' 57' ' ' GLY . 0.1 OUTLIER -68.17 -29.66 68.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.24 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.1 mp0 -63.36 158.82 19.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.303 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.447 ' CD1' ' HB3' ' A' ' 55' ' ' GLN . 20.5 tp -129.35 130.1 45.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.561 1.163 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.3 p -74.46 131.35 40.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.016 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.568 HD12 ' CD1' ' A' ' 59' ' ' PHE . 15.7 mt -103.76 142.0 35.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 0.0 109.267 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -126.33 140.82 38.17 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.467 ' HD3' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.99 113.0 3.69 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.512 1.796 . . . . 0.0 111.02 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 108.84 25.39 5.68 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.488 1.118 . . . . 0.0 111.0 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -124.27 -178.14 4.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 0.758 . . . . 0.0 110.327 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 72.2 mt -135.87 142.8 44.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.441 ' CG1' ' HA ' ' A' ' 47' ' ' LEU . 6.1 mt -136.32 144.32 33.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.439 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 7.3 tp -98.21 116.61 30.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.122 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 31.8 mm -69.22 122.06 19.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.468 ' CD1' ' HA2' ' A' ' 45' ' ' GLY . 0.2 OUTLIER -109.04 -35.51 6.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -146.65 148.28 31.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.495 ' HD3' ' CE2' ' A' ' 43' ' ' TRP . 5.2 mttp -129.66 126.95 39.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -88.9 169.37 11.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.16 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.4 t -96.16 13.91 25.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.407 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.78 -34.16 6.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.997 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 138.21 -11.91 3.56 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.532 1.145 . . . . 0.0 111.037 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -81.34 126.81 32.04 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.495 ' CE2' ' HD3' ' A' ' 37' ' ' LYS . 40.1 m0 -114.92 144.17 43.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 107.998 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.514 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 41.2 tt0 -110.4 99.22 8.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.468 ' HA2' ' CD1' ' A' ' 35' ' ' LEU . . . -130.11 179.65 16.69 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.457 1.098 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.455 ' CG ' ' O ' ' A' ' 55' ' ' GLN . 8.1 tt0 -121.86 131.23 53.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 0.755 . . . . 0.0 110.26 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.441 ' HA ' ' CG1' ' A' ' 32' ' ' ILE . 0.2 OUTLIER -63.62 121.8 14.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 63.6 mm-40 -90.79 28.81 1.45 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -114.97 151.64 33.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.4 132.01 34.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.43 ' O ' ' CB ' ' A' ' 52' ' ' LYS . . . 169.84 90.08 0.08 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.519 1.137 . . . . 0.0 111.048 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.43 ' CB ' ' O ' ' A' ' 51' ' ' GLY . 8.9 tttt 82.33 -68.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 0.77 . . . . 0.0 109.341 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -159.47 -178.2 6.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -76.7 105.44 7.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.285 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.455 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 1.0 OUTLIER -67.47 140.37 57.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 110.266 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.11 129.86 6.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.468 ' CA ' ' O ' ' A' ' 22' ' ' GLU . . . 179.14 -163.7 31.42 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.451 1.094 . . . . 0.0 111.001 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.514 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 83.9 m95 -101.83 143.09 32.16 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.568 ' CD1' HD12 ' A' ' 26' ' ' LEU . 5.7 p90 -155.25 158.56 32.01 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.517 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.3 Cg_endo -75.0 132.14 15.08 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.472 1.775 . . . . 0.0 111.02 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.35 -15.88 62.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.86 -9.1 56.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.014 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.517 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 9.6 m-70 -98.22 -15.04 20.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.572 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.0 m -125.85 173.88 10.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.12 127.9 23.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.7 mt -60.98 134.12 56.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.0 mt -88.86 14.44 10.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -98.58 124.56 8.25 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 164.5 33.22 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.47 1.774 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 26.5 t -135.44 -58.52 0.78 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 110.022 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.59 136.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.977 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -150.15 99.6 2.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -58.99 158.54 8.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 110.347 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -170.7 -53.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.429 1.081 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.48 -55.76 2.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.421 1.075 . . . . 0.0 109.996 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -59.63 157.76 24.78 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.528 1.143 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 135.41 19.07 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.473 1.775 . . . . 0.0 110.999 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.45 -57.13 14.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.038 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.31 -58.76 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.021 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.133 . . . . 0.0 110.997 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.97 96.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 0.74 . . . . 0.0 110.007 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.5 m -114.82 107.09 14.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.993 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.64 62.92 0.46 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.481 1.113 . . . . 0.0 110.971 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.6 p -163.0 159.89 23.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 0.0 109.97 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.4 t -165.78 134.54 3.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.051 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.61 172.45 45.17 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.509 1.131 . . . . 0.0 110.973 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -74.89 115.13 14.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 0.766 . . . . 0.0 110.278 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 14.6 mm -96.13 149.31 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -134.7 140.17 45.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.167 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -104.13 120.7 41.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.457 ' CG1' ' O ' ' A' ' 27' ' ' ALA . 90.6 t -64.18 129.89 28.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.8 p -115.32 -17.2 11.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.391 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -143.04 129.17 19.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 110.054 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.477 ' CB ' ' HD3' ' A' ' 28' ' ' PRO . . . -63.17 145.82 54.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -135.8 154.94 51.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.98 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 43.6 t -129.54 116.57 39.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.99 161.53 0.36 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.6 30.63 0.47 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 109.954 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -154.19 -138.37 2.62 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.547 1.154 . . . . 0.0 111.002 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.47 -40.21 2.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 109.975 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -99.28 40.31 1.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.312 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -115.57 150.52 36.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.442 ' CD1' ' HB3' ' A' ' 55' ' ' GLN . 23.9 tp -120.75 130.37 54.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 29.3 m -74.66 131.78 41.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 110.044 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.575 HD13 ' CD1' ' A' ' 59' ' ' PHE . 9.2 mt -107.57 143.83 35.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.457 ' O ' ' CG1' ' A' ' 12' ' ' VAL . . . -128.59 143.81 49.8 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.477 ' HD3' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.01 113.54 3.82 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.516 1.798 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 108.21 24.3 6.31 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.499 1.124 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -121.29 172.92 7.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.577 0.81 . . . . 0.0 110.271 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 72.6 mt -126.13 139.22 53.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.407 HG21 ' N ' ' A' ' 33' ' ' LEU . 6.6 mt -132.62 151.08 33.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.482 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 0.1 OUTLIER -106.89 115.55 30.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 43.3 mm -68.46 121.45 17.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.575 1.172 . . . . 0.0 109.34 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.3 mt -110.69 -41.75 4.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.84 155.95 47.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -132.01 164.46 26.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.321 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -140.26 150.39 44.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.5 p -60.54 -40.18 90.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.425 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.9 t -55.62 -46.61 77.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.014 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 140.93 -15.88 2.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -66.7 125.11 24.78 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.429 ' CD2' ' HB1' ' A' ' 61' ' ' ALA . 44.7 m0 -114.76 141.86 47.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 107.985 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.527 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 46.8 tt0 -109.78 97.3 6.86 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.482 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -125.58 -173.33 13.62 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.534 1.146 . . . . 0.0 110.956 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.489 ' CG ' ' O ' ' A' ' 55' ' ' GLN . 14.6 tt0 -124.8 130.76 53.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 0.74 . . . . 0.0 110.282 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.415 ' CD2' ' HB1' ' A' ' 49' ' ' ALA . 0.5 OUTLIER -62.98 115.34 4.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -90.99 31.22 1.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.308 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.415 ' HB1' ' CD2' ' A' ' 47' ' ' LEU . . . -136.42 59.42 1.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -179.33 133.31 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.269 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -101.56 148.83 18.04 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.132 . . . . 0.0 110.946 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 73.44 -65.99 0.33 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 0.749 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.1 tttm -87.82 94.52 9.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.0 mmt85 -85.66 109.83 18.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 110.262 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.489 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 2.6 mp0 -70.42 134.68 48.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.07 129.25 11.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 109.274 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 178.67 -177.53 48.47 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.481 1.113 . . . . 0.0 111.047 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.527 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 75.6 m95 -94.02 143.98 25.87 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.575 ' CD1' HD13 ' A' ' 26' ' ' LEU . 6.1 p90 -155.02 160.1 31.21 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 111.027 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.508 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.2 Cg_endo -74.99 131.41 14.26 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.501 1.79 . . . . 0.0 110.963 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.429 ' HB1' ' CD2' ' A' ' 43' ' ' TRP . . . -72.49 -17.42 61.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.3 t -67.1 -11.17 56.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.02 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.508 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 10.5 m-70 -94.13 -23.56 17.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.591 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.5 m -115.65 174.29 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.337 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.9 ptmt -138.13 129.06 27.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.0 mt -62.49 132.78 53.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.3 mt -89.89 14.91 10.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 104.87 167.46 24.25 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -39.69 1.13 Allowed 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.501 1.79 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 49.7 p -136.19 -57.13 0.76 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 110.026 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 44.7 m 59.04 98.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 110.001 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.81 128.72 36.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.57 157.9 23.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -163.24 82.26 0.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.6 m -51.55 135.65 27.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.945 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -106.22 147.51 16.25 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 163.84 34.56 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.492 1.785 . . . . 0.0 111.018 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 84.9 p -173.13 135.08 0.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.988 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.6 t -121.05 -58.5 1.8 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.061 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 179.969 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.4 t -65.37 -59.17 4.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 0.765 . . . . 0.0 109.991 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.1 112.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.986 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.96 157.68 25.46 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.447 1.092 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.0 p -93.28 153.94 18.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 0.758 . . . . 0.0 109.948 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.8 t -150.34 154.26 37.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.428 1.08 . . . . 0.0 109.974 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.25 156.81 20.21 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.447 1.092 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -65.11 112.21 3.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 0.763 . . . . 0.0 110.319 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.5 mm -91.64 150.76 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -133.62 141.57 47.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -100.9 118.71 37.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.479 ' CG1' ' O ' ' A' ' 27' ' ' ALA . 85.1 t -62.9 129.91 26.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 69.5 p -112.57 -23.14 10.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.408 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -139.21 132.81 30.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.991 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.477 ' CB ' ' HD3' ' A' ' 28' ' ' PRO . . . -64.13 143.3 57.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -132.53 155.02 49.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.955 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.8 t -128.32 111.68 24.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.7 160.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.27 -50.37 2.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.969 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -88.99 -133.58 4.79 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.534 1.146 . . . . 0.0 110.98 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.41 -42.91 2.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.751 . . . . 0.0 110.013 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.459 ' O ' ' CA ' ' A' ' 57' ' ' GLY . 1.0 OUTLIER -71.17 -15.41 62.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.085 . . . . 0.0 110.3 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.1 mp0 -65.8 151.42 46.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.1 tp -122.09 129.78 52.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.351 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 53.1 p -75.2 129.73 37.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.985 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.574 HD13 ' CD1' ' A' ' 59' ' ' PHE . 6.1 mt -106.82 151.93 24.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.479 ' O ' ' CG1' ' A' ' 12' ' ' VAL . . . -135.52 144.05 47.69 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.477 ' HD3' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.99 112.61 3.6 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.521 1.801 . . . . 0.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.31 20.39 7.47 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -118.25 175.43 5.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 0.758 . . . . 0.0 110.287 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' A' ' 48' ' ' GLN . 73.6 mt -126.99 144.22 51.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.455 HD12 ' CD2' ' A' ' 26' ' ' LEU . 5.9 mt -137.62 143.8 32.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.426 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 3.1 tt -101.38 114.7 28.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.3 mm -66.9 125.68 24.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.3 mt -114.4 -35.92 4.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -147.37 146.89 29.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.349 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -127.63 128.82 46.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 37.7 t-20 -87.93 170.13 11.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.0 t -94.78 13.6 24.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.373 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.58 -34.55 5.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.008 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 142.2 -22.04 2.43 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.52 1.137 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -69.31 127.47 33.17 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.411 ' CE3' ' HB3' ' A' ' 61' ' ' ALA . 44.7 m0 -115.18 140.36 49.15 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.525 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 43.6 tt0 -108.15 98.18 7.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.346 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.426 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -130.3 -170.18 12.65 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.479 1.112 . . . . 0.0 110.976 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.466 ' CG ' ' O ' ' A' ' 55' ' ' GLN . 12.0 tt0 -125.87 134.87 51.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 0.769 . . . . 0.0 110.262 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.443 ' CD2' ' HB2' ' A' ' 49' ' ' ALA . 0.3 OUTLIER -64.73 111.03 2.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 31' ' ' LEU . 97.6 mm-40 -91.74 36.19 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.443 ' HB2' ' CD2' ' A' ' 47' ' ' LEU . . . -128.44 142.72 51.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 60.17 154.42 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -125.74 110.86 1.37 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.504 1.127 . . . . 0.0 111.015 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.42 -48.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 0.788 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -140.15 118.71 12.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.423 1.077 . . . . 0.0 109.284 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.8 mmt85 -64.97 89.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.466 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -64.54 123.72 19.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.9 127.34 14.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.459 ' CA ' ' O ' ' A' ' 22' ' ' GLU . . . -177.02 -170.38 39.41 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.501 1.126 . . . . 0.0 110.981 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.525 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 85.1 m95 -101.43 143.12 31.84 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.574 ' CD1' HD13 ' A' ' 26' ' ' LEU . 8.6 p90 -155.11 159.03 32.14 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.474 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.2 Cg_endo -75.02 131.18 13.97 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.501 1.79 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.411 ' HB3' ' CE3' ' A' ' 43' ' ' TRP . . . -71.48 -17.74 62.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 54.4 m -67.5 -10.77 54.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.968 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.474 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 7.8 m-70 -95.38 -18.06 21.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.6 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.401 ' O ' ' O ' ' A' ' 61' ' ' ALA . 2.8 m -122.64 175.82 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.12 128.18 23.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.105 . . . . 0.0 109.292 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.5 mt -62.45 135.61 57.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.322 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.6 mt -89.28 15.51 8.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 49.89 -155.89 2.23 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.44 1.088 . . . . 0.0 111.029 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 126.33 9.87 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.491 1.785 . . . . 0.0 111.033 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.5 t -131.66 -56.08 1.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.002 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.32 -51.18 68.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.023 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 59.34 160.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -111.47 -42.2 3.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.254 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 53.07 98.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.62 138.39 42.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 110.006 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -166.39 -76.72 0.03 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.559 1.162 . . . . 0.0 111.041 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 79.54 2.66 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.481 1.78 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 87.4 p -60.11 139.39 57.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 110.013 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.49 162.04 15.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.014 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.501 1.125 . . . . 0.0 111.015 -179.981 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.2 p -60.38 153.33 23.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 0.779 . . . . 0.0 109.999 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.03 82.88 0.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.965 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.05 165.93 31.41 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.531 1.144 . . . . 0.0 111.029 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -176.8 171.08 2.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 0.793 . . . . 0.0 110.013 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 m -89.03 -59.6 2.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 110.019 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.19 145.27 45.93 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.52 116.96 5.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 0.78 . . . . 0.0 110.273 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.413 HG21 ' N ' ' A' ' 10' ' ' ALA . 22.8 mm -98.43 147.46 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.413 ' N ' HG21 ' A' ' 9' ' ' ILE . . . -134.15 136.64 43.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -99.98 121.96 42.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.338 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.464 ' CG1' ' O ' ' A' ' 27' ' ' ALA . 89.4 t -64.44 130.82 29.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.7 p -115.04 -18.14 11.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.423 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.89 132.08 23.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.995 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.487 ' CB ' ' HD3' ' A' ' 28' ' ' PRO . . . -65.44 144.68 56.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -137.07 154.66 50.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.994 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 97.0 t -123.0 103.62 13.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -40.52 145.18 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.3 m -126.26 51.49 1.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.991 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 170.23 -160.99 34.03 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.499 1.124 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.95 -26.78 13.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.974 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.507 ' O ' ' CA ' ' A' ' 57' ' ' GLY . 4.9 pt-20 -90.77 -24.4 20.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.378 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.2 mp0 -63.36 152.24 38.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 110.29 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.424 ' CD1' ' HB3' ' A' ' 55' ' ' GLN . 20.3 tp -123.53 129.42 51.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.0 m -73.8 135.17 43.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.986 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.574 HD13 ' CD1' ' A' ' 59' ' ' PHE . 12.9 mt -110.73 143.44 41.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.464 ' O ' ' CG1' ' A' ' 12' ' ' VAL . . . -127.35 143.1 46.01 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.487 ' HD3' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.96 112.05 3.47 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.49 1.784 . . . . 0.0 111.011 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 109.29 26.55 5.12 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.452 1.095 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -124.25 175.54 6.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 0.754 . . . . 0.0 110.338 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 72.3 mt -127.43 147.23 50.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.336 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.475 ' CD1' HD22 ' A' ' 26' ' ' LEU . 5.2 mt -139.8 153.34 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.16 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.447 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 0.4 OUTLIER -108.93 115.39 29.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 41.8 mm -68.62 116.88 9.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.1 mt -105.02 -45.0 4.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -135.07 160.34 38.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.2 mttp -130.33 168.78 16.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -140.22 159.61 41.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.4 p -90.83 53.22 2.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 110.386 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.98 -41.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.012 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 145.91 -17.41 1.77 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.492 1.12 . . . . 0.0 110.96 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -73.85 115.81 13.73 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 38.6 m0 -112.17 144.6 41.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 108.0 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.528 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 44.2 tt0 -110.55 97.9 7.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.447 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -129.45 -172.97 13.27 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.119 . . . . 0.0 111.039 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.481 ' CG ' ' O ' ' A' ' 55' ' ' GLN . 17.3 tt0 -123.55 135.52 54.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.448 ' HA ' ' CG1' ' A' ' 32' ' ' ILE . 0.3 OUTLIER -68.08 112.58 5.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -90.66 30.34 1.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.327 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -122.27 131.3 53.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.148 . . . . 0.0 109.342 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.3 ttm180 -44.19 149.37 0.36 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 171.13 -156.71 26.95 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.516 1.135 . . . . 0.0 110.966 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -49.64 -60.49 2.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 109.335 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -158.38 -173.85 4.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -65.78 88.18 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 110.345 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.481 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -59.93 134.98 57.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.337 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.94 126.7 8.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.507 ' CA ' ' O ' ' A' ' 22' ' ' GLU . . . -178.97 -169.63 39.83 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.513 1.133 . . . . 0.0 110.955 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.528 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 86.9 m95 -98.62 144.13 28.25 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.574 ' CD1' HD13 ' A' ' 26' ' ' LEU . 5.8 p90 -155.39 157.0 31.56 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.954 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.475 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.4 Cg_endo -74.94 132.63 15.73 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.433 1.754 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.76 -18.02 62.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 72.5 m -67.54 -11.36 57.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.991 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.475 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 8.1 m-70 -95.62 -18.05 20.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.606 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.0 m -121.1 174.84 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -138.32 126.59 23.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.9 mt -63.56 133.31 53.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 20.0 mt -93.69 16.27 14.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.79 -166.07 15.64 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.485 1.116 . . . . 0.0 110.961 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -40.87 0.78 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.49 1.784 . . . . 0.0 111.033 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.6 m -177.81 -55.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.987 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.9 t -59.64 111.28 1.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.985 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.535 ' O ' ' C ' ' A' ' 73' ' ' ARG . 0.3 OUTLIER -73.71 -17.42 61.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.535 ' C ' ' O ' ' A' ' 72' ' ' GLU . 11.8 ptt180 27.23 60.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 110.283 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.03 96.36 9.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.98 162.12 7.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.984 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 101.51 82.18 1.64 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.503 1.127 . . . . 0.0 110.959 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 59.62 5.23 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.491 1.785 . . . . 0.0 110.998 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.68 126.16 30.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.031 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.03 -58.92 1.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.113 . . . . 0.0 110.016 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.074 0 O-C-N 124.529 1.143 . . . . 0.0 110.989 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.34 126.55 7.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 0.761 . . . . 0.0 110.056 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.4 t -148.94 161.74 41.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 110.04 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.62 109.5 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.483 1.115 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.7 p -69.24 152.41 45.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 109.992 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.8 m -115.6 122.48 45.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 109.984 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.61 115.93 4.25 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.556 1.16 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.5 mp0 -52.45 133.89 35.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 0.769 . . . . 0.0 110.326 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.404 HG23 ' N ' ' A' ' 10' ' ' ALA . 19.6 mm -105.98 144.46 15.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.464 ' HB1' ' CG2' ' A' ' 64' ' ' VAL . . . -131.66 135.59 47.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -100.41 122.19 42.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.488 ' CG1' ' O ' ' A' ' 27' ' ' ALA . 90.1 t -62.0 132.81 27.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 75.9 p -115.61 -27.07 7.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.431 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.25 131.1 39.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 110.048 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.493 ' CB ' ' HD3' ' A' ' 28' ' ' PRO . . . -65.52 143.28 57.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -130.26 153.46 48.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 78.8 t -127.64 89.43 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.307 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.02 146.77 4.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.0 m -88.82 -59.07 2.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.953 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 150.36 100.21 0.21 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.468 1.105 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 167.37 56.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 0.738 . . . . 0.0 110.01 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 69.12 17.19 8.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 110.319 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.402 ' HA ' ' O ' ' A' ' 58' ' ' TRP . 8.7 mt-30 -86.55 159.39 19.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 110.294 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.455 ' CD1' ' HB3' ' A' ' 55' ' ' GLN . 21.3 tp -126.06 129.84 49.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.335 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.7 m -70.0 153.46 43.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.118 . . . . 0.0 109.983 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.503 HD12 ' CD1' ' A' ' 59' ' ' PHE . 18.2 mt -127.67 140.66 51.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.488 ' O ' ' CG1' ' A' ' 12' ' ' VAL . . . -127.58 142.41 44.03 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.493 ' HD3' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.94 111.99 3.45 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.46 1.769 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.86 24.21 5.6 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.133 . . . . 0.0 110.969 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -122.68 174.99 6.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.327 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 74.5 mt -127.49 146.32 50.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.413 HG22 ' N ' ' A' ' 33' ' ' LEU . 5.8 mt -138.54 152.01 24.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.47 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 0.8 OUTLIER -107.16 117.35 33.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.35 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 39.9 mm -71.51 111.63 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.1 mt -99.39 -48.2 4.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.151 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.05 159.82 40.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -129.91 169.29 15.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 39' ' ' THR . 36.6 t30 -138.45 162.29 34.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.451 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 13.4 p -91.38 52.49 2.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 110.422 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.9 -41.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.02 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 145.16 -17.58 1.92 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.529 1.143 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -73.35 110.15 7.41 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 41.0 m0 -105.57 140.83 38.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 107.974 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.537 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 51.3 tt0 -105.35 94.29 5.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.47 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -124.76 -174.91 14.13 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.539 1.149 . . . . 0.0 111.023 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -125.23 129.95 51.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 0.76 . . . . 0.0 110.31 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.452 ' CD2' ' HB3' ' A' ' 49' ' ' ALA . 0.4 OUTLIER -61.31 113.74 2.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.357 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -90.59 33.07 0.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.334 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.452 ' HB3' ' CD2' ' A' ' 47' ' ' LEU . . . -131.33 70.96 1.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.143 . . . . 0.0 109.34 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 177.61 157.74 0.38 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -137.86 49.05 0.86 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.3 ttmm -171.4 -51.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 0.751 . . . . 0.0 109.323 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.9 tptt -115.52 105.36 12.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.8 mmt85 -80.76 97.25 7.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.455 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 3.1 mp0 -62.61 132.64 53.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.346 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.7 129.65 12.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 109.245 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.414 ' CA ' ' HB2' ' A' ' 24' ' ' LEU . . . 179.47 -173.88 45.72 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.122 . . . . 0.0 110.999 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.537 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 86.4 m95 -97.69 119.12 35.7 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.503 ' CD1' HD12 ' A' ' 26' ' ' LEU . 7.7 p90 -128.03 155.94 77.03 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.458 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.3 Cg_endo -75.0 132.24 15.19 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.491 1.785 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 64' ' ' VAL . . . -72.4 -21.86 61.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.88 -12.98 28.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.023 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.458 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 8.9 m-70 -93.54 -22.99 18.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.587 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.464 ' CG2' ' HB1' ' A' ' 10' ' ' ALA . 1.6 m -115.06 176.0 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.3 pttt -138.88 129.69 26.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.4 mt -59.8 140.96 56.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 mt -100.96 13.78 34.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -120.8 86.7 0.4 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.539 1.149 . . . . 0.0 110.978 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -38.35 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.519 1.799 . . . . 0.0 111.027 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.6 t -149.14 -61.43 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.997 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.87 158.24 15.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.996 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -110.84 80.47 1.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 58.82 166.96 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 76' ' ' GLY . . . -134.61 151.69 51.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.5 m 63.75 -77.56 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.999 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 115.66 -162.82 12.4 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.536 1.147 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 152.68 41.35 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.52 1.8 . . . . 0.0 111.029 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.11 -56.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.998 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 58.0 m -67.5 120.45 13.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.003 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.535 1.147 . . . . 0.0 110.972 -179.99 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.2 p -88.96 100.01 12.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 0.766 . . . . 0.0 110.016 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.46 88.18 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.012 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.4 144.32 4.79 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.461 1.101 . . . . 0.0 111.026 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -92.95 127.81 38.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 0.765 . . . . 0.0 110.0 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.32 105.37 4.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.989 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.2 -178.39 35.33 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.445 1.091 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -74.02 115.72 13.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.4 HG21 ' N ' ' A' ' 10' ' ' ALA . 8.6 mm -92.84 143.44 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.4 ' N ' HG21 ' A' ' 9' ' ' ILE . . . -124.69 136.25 53.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -96.49 110.82 23.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.498 ' CG1' ' O ' ' A' ' 27' ' ' ALA . 97.0 t -56.55 134.69 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 73.8 p -115.23 -25.64 7.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.353 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.412 ' HB2' ' ND1' ' A' ' 63' ' ' HIS . 3.0 m -133.88 140.96 47.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.978 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.474 ' CB ' ' HD3' ' A' ' 28' ' ' PRO . . . -71.49 141.22 50.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.473 ' O ' ' N ' ' A' ' 26' ' ' LEU . 63.4 t80 -144.07 130.97 20.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 110.966 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -115.81 102.31 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.479 ' CB ' ' HB3' ' A' ' 23' ' ' GLN . . . -44.21 165.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.252 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.4 p -136.46 -45.81 0.61 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.983 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.454 ' H ' ' NE2' ' A' ' 23' ' ' GLN . . . -63.22 -144.08 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.452 1.095 . . . . 0.0 111.037 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.35 -36.36 3.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 0.783 . . . . 0.0 110.031 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.5 mp0 -98.34 32.95 2.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.349 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.479 ' HB3' ' CB ' ' A' ' 18' ' ' ALA . 0.8 OUTLIER -113.13 154.35 26.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 32.3 tp -125.68 132.29 52.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.7 p -76.43 143.96 40.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.976 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.578 HD11 ' CD1' ' A' ' 59' ' ' PHE . 12.9 mt -118.91 148.29 43.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.498 ' O ' ' CG1' ' A' ' 12' ' ' VAL . . . -132.58 143.04 47.09 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.474 ' HD3' ' CB ' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.06 114.47 4.03 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.476 1.777 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.41 18.47 8.57 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.451 1.095 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -115.49 -179.88 3.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 0.765 . . . . 0.0 110.3 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.1 mt -135.7 134.85 39.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.295 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.445 ' CD1' HD23 ' A' ' 26' ' ' LEU . 5.9 mt -128.1 152.11 35.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.446 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 6.9 tp -105.97 118.58 36.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 47.3 mm -71.62 116.98 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.8 mt -106.18 -53.19 2.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -125.37 146.51 49.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.9 mttp -123.07 167.65 13.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 109.342 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -136.24 164.79 27.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.9 t -94.06 19.44 9.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 110.388 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.9 m -117.72 -39.24 3.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 110.025 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 141.65 -14.95 2.68 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.443 1.089 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 89.4 m95 -76.96 125.96 30.18 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.975 -1.121 . . . . 0.0 107.975 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 40.4 m0 -117.16 142.99 46.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 108.007 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.526 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 47.7 tt0 -110.55 96.75 6.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.345 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.446 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -125.39 -177.21 14.81 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.124 . . . . 0.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.497 ' CG ' ' O ' ' A' ' 55' ' ' GLN . 4.0 tt0 -124.91 127.99 47.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 0.759 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.2 126.77 28.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -91.14 29.28 1.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.31 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -130.46 164.8 24.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.1 mmt-85 58.23 106.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 110.341 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.46 165.0 50.35 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.483 1.114 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 70.91 -69.58 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 0.759 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.21 92.61 0.41 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -84.03 89.2 7.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.143 . . . . 0.0 110.281 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.497 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 1.4 mp0 -62.67 132.25 51.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.04 124.1 4.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -174.4 -166.47 32.46 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.525 1.141 . . . . 0.0 110.969 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.526 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 85.1 m95 -103.46 142.06 34.9 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.578 ' CD1' HD11 ' A' ' 26' ' ' LEU . 7.2 p90 -154.96 159.86 31.44 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 111.007 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 131.02 13.87 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.53 1.805 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.38 -17.43 62.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.9 m -67.16 -12.87 61.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 110.018 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.412 ' ND1' ' HB2' ' A' ' 14' ' ' SER . 4.6 m-70 -93.19 -12.07 31.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.572 1.17 . . . . 0.0 109.629 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.4 m -127.27 175.3 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.99 125.16 18.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.9 mt -60.05 133.3 55.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.333 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.5 mt -91.7 14.09 16.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.73 174.13 35.73 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.561 1.163 . . . . 0.0 111.03 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 109.6 2.96 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.49 1.784 . . . . 0.0 111.02 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.25 -63.13 1.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.007 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 43.59 80.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.978 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -55.56 116.46 2.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 110.306 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 54.4 mtm180 48.05 87.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 110.292 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -132.75 -57.67 0.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.19 92.15 2.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.012 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 100.2 118.48 4.22 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -52.13 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.529 1.805 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 78.1 p -174.52 152.16 1.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.991 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 84.6 p -179.34 120.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.027 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.568 1.167 . . . . 0.0 110.951 -179.981 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.9 p -102.77 98.39 8.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 0.75 . . . . 0.0 110.012 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -160.15 98.9 1.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.991 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.43 -173.28 19.15 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.0 t 59.28 81.26 0.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 0.748 . . . . 0.0 109.994 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.49 76.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.016 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.0 120.77 8.11 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.547 1.154 . . . . 0.0 111.016 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -73.87 122.3 22.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 0.769 . . . . 0.0 110.288 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.0 mm -97.38 140.85 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -125.07 137.49 54.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -98.08 111.36 23.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' A' ' 27' ' ' ALA . 86.6 t -55.54 134.53 19.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.8 p -114.86 -27.0 7.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.41 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.418 ' HB2' ' ND1' ' A' ' 63' ' ' HIS . 2.3 m -133.69 138.43 45.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 110.004 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.488 ' CB ' ' HD3' ' A' ' 28' ' ' PRO . . . -70.13 142.8 52.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.422 ' O ' ' N ' ' A' ' 26' ' ' LEU . 66.5 t80 -145.65 128.55 16.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.113 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -115.54 94.84 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.448 ' CB ' ' HB3' ' A' ' 23' ' ' GLN . . . -41.01 160.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -161.34 46.23 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.982 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -135.91 -112.53 1.2 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.453 1.096 . . . . 0.0 111.024 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.36 -64.91 0.63 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 0.748 . . . . 0.0 110.003 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.3 mp0 -100.17 49.34 0.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.448 ' HB3' ' CB ' ' A' ' 18' ' ' ALA . 1.3 mt-30 -116.14 148.38 40.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 25.7 tp -119.54 132.57 55.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.3 p -76.56 147.61 37.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.065 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.493 HD11 ' CD1' ' A' ' 59' ' ' PHE . 41.0 mt -118.51 156.84 28.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.5 ' O ' ' CG1' ' A' ' 12' ' ' VAL . . . -140.05 141.14 25.83 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.488 ' HD3' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.97 113.09 3.71 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.529 1.805 . . . . 0.0 111.019 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.8 22.69 6.2 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.467 1.105 . . . . 0.0 110.957 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -119.62 -179.96 4.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 0.741 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.2 mt -135.7 135.74 40.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.469 HD11 ' CD2' ' A' ' 26' ' ' LEU . 5.7 mt -128.75 154.85 40.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.127 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.451 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 9.0 tp -109.03 115.85 30.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 41.6 mm -69.99 112.15 4.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.9 mt -99.04 -47.3 5.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.41 150.57 52.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.6 mttp -126.64 168.74 13.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -138.01 171.39 14.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 109.266 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.1 t -99.93 21.79 12.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.407 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.42 -39.94 2.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.987 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 141.53 -15.37 2.7 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.445 1.09 . . . . 0.0 110.952 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 83.7 m95 -77.94 126.31 30.64 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.487 ' CD2' ' HB1' ' A' ' 61' ' ' ALA . 40.0 m0 -116.81 141.63 47.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.168 . . . . 0.0 108.025 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.533 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 48.9 tt0 -108.53 96.07 6.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.451 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -126.22 -177.04 14.71 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.469 ' CG ' ' O ' ' A' ' 55' ' ' GLN . 2.8 tt0 -124.59 131.04 53.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 0.739 . . . . 0.0 110.34 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.415 HD23 ' N ' ' A' ' 48' ' ' GLN . 0.9 OUTLIER -60.61 126.9 29.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.415 ' N ' HD23 ' A' ' 47' ' ' LEU . 73.1 mm-40 -90.29 28.5 1.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.299 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -134.85 114.81 12.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.49 170.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 110.355 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 165.33 -150.39 18.09 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.09 -61.41 1.0 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 0.735 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -161.84 165.97 27.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.6 mmt-85 -40.0 109.07 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 110.257 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.469 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 3.1 mp0 -80.5 131.36 35.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.339 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.55 124.56 0.82 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -174.62 -168.08 34.87 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.519 1.137 . . . . 0.0 111.032 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.533 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 81.5 m95 -104.85 119.24 38.52 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.493 ' CD1' HD11 ' A' ' 26' ' ' LEU . 16.3 p90 -131.16 161.57 60.94 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.412 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.3 Cg_endo -75.0 129.2 12.12 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.54 1.811 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.487 ' HB1' ' CD2' ' A' ' 43' ' ' TRP . . . -70.91 -19.41 62.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.6 m -65.37 -10.64 34.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.993 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.433 ' CB ' HD12 ' A' ' 26' ' ' LEU . 10.8 m-70 -97.02 -1.91 44.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.595 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.407 ' CG1' HD13 ' A' ' 26' ' ' LEU . 2.5 m -137.81 176.21 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.16 129.41 22.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.9 mt -61.45 135.3 57.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mt -91.32 13.94 15.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 54.51 -154.36 9.1 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 114.11 3.95 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.501 1.79 . . . . 0.0 110.962 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.7 t -143.89 -56.75 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.034 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.3 p -45.9 124.26 5.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.999 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -59.51 117.92 5.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.282 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 87.6 mtt-85 -80.59 116.93 20.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.107 . . . . 0.0 110.32 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -140.07 135.77 32.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.8 m -45.26 128.36 7.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.953 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -101.18 -171.4 28.47 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 139.4 24.21 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.493 1.786 . . . . 0.0 111.028 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 26.5 p -74.01 137.4 43.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 110.007 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.99 -58.51 3.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 O-C-N 124.459 1.1 . . . . 0.0 110.997 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.5 p -123.18 125.16 44.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 0.749 . . . . 0.0 110.016 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.4 p -106.96 156.94 18.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.028 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.8 -102.64 0.22 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.446 1.091 . . . . 0.0 110.996 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.0 m -114.5 -61.24 1.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 0.789 . . . . 0.0 110.003 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.2 t 64.38 126.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.035 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.34 -178.31 24.14 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -71.38 108.6 4.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 0.784 . . . . 0.0 110.301 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.41 HG21 ' N ' ' A' ' 10' ' ' ALA . 11.0 mm -88.85 141.61 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.41 ' N ' HG21 ' A' ' 9' ' ' ILE . . . -127.83 129.89 47.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -94.65 121.19 35.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.459 ' CG1' ' O ' ' A' ' 27' ' ' ALA . 97.6 t -59.07 134.04 24.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.464 ' CG2' ' HB3' ' A' ' 65' ' ' LYS . 69.1 p -114.99 -11.16 12.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.423 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 m -157.92 136.85 11.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.038 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.471 ' CB ' ' HD3' ' A' ' 28' ' ' PRO . . . -64.91 148.69 50.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -138.61 157.08 46.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 84.6 t -128.05 108.19 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -40.85 153.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.264 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.65 -48.01 2.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 110.006 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.44 -137.73 3.22 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -119.58 -41.25 2.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 0.723 . . . . 0.0 110.031 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.411 ' O ' ' CA ' ' A' ' 57' ' ' GLY . 4.3 mp0 -81.24 -3.82 53.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.5 mp0 -69.8 155.93 39.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 110.332 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.435 ' HB2' ' CA ' ' A' ' 57' ' ' GLY . 23.4 tp -123.65 130.97 53.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 55.1 p -75.94 129.26 36.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 109.988 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.57 HD12 ' CD1' ' A' ' 59' ' ' PHE . 12.4 mt -101.43 160.5 14.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.459 ' O ' ' CG1' ' A' ' 12' ' ' VAL . . . -146.18 143.04 18.36 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.471 ' HD3' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.99 112.47 3.57 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.492 1.785 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 107.36 27.28 5.34 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -127.33 162.49 26.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 110.312 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 53.1 mt -113.79 147.37 38.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.327 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.1 mt -140.34 152.73 21.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.507 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 0.1 OUTLIER -108.89 114.04 27.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.449 ' CG2' ' HE3' ' A' ' 37' ' ' LYS . 46.0 mm -65.65 125.97 23.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.472 ' CD1' ' HA2' ' A' ' 45' ' ' GLY . 1.8 mt -117.61 -50.52 2.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.463 ' HB3' ' CZ2' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -125.49 145.74 49.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.449 ' HE3' ' CG2' ' A' ' 34' ' ' ILE . 4.6 mttp -132.35 151.89 51.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.435 ' OD1' ' N ' ' A' ' 39' ' ' THR . 37.5 t30 -124.89 165.42 18.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.435 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 20.2 p -87.99 51.31 2.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.402 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.422 ' HB2' ' ND2' ' A' ' 38' ' ' ASN . 0.5 OUTLIER -153.61 -41.53 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.979 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 144.43 -16.57 2.06 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 94.5 m95 -70.45 112.0 6.41 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.408 ' O ' ' N ' ' A' ' 59' ' ' PHE . 46.5 m0 -115.04 142.48 46.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 107.958 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.613 ' HB2' ' CD2' ' A' ' 58' ' ' TRP . 3.1 tt0 -112.11 106.34 14.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.507 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -132.49 -177.12 14.72 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.498 1.124 . . . . 0.0 111.031 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.431 ' CG ' ' O ' ' A' ' 55' ' ' GLN . 10.4 tt0 -118.09 126.64 52.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 0.741 . . . . 0.0 110.289 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.427 ' HB2' ' CB ' ' A' ' 55' ' ' GLN . 0.4 OUTLIER -59.78 111.7 1.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -90.77 33.84 0.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.087 . . . . 0.0 110.3 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.42 ' HB3' ' CD2' ' A' ' 47' ' ' LEU . . . -129.83 150.11 51.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 58.7 156.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 110.292 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -133.63 109.41 0.81 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.482 1.114 . . . . 0.0 111.023 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -179.13 -53.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 0.771 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.93 113.88 18.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.568 1.168 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -61.34 94.67 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 110.243 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.431 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 6.1 mp0 -74.92 129.04 36.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 110.322 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -163.02 126.86 2.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.435 ' CA ' ' HB2' ' A' ' 24' ' ' LEU . . . 175.43 174.53 42.1 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.613 ' CD2' ' HB2' ' A' ' 44' ' ' GLN . 64.1 m95 -80.82 145.34 31.46 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.57 ' CD1' HD12 ' A' ' 26' ' ' LEU . 8.5 p90 -154.96 161.5 29.3 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 111.029 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.502 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.4 Cg_endo -74.95 129.72 12.65 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.529 1.805 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.57 -26.81 63.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 74.1 m -56.68 -18.38 12.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.001 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.502 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 50.1 m-70 -93.85 -2.37 53.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.605 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.3 m -132.92 175.05 12.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.464 ' HB3' ' CG2' ' A' ' 13' ' ' THR . 0.1 OUTLIER -142.53 122.93 13.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.153 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.9 mt -59.14 132.47 54.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 28.9 mt -93.7 16.43 13.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.96 157.28 24.22 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -48.51 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.497 1.788 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.7 t -134.09 -53.33 0.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.989 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.7 t 70.94 -70.74 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.985 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 77.93 119.54 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.3 ptt180 -104.18 158.35 16.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.264 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.61 91.1 5.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 46.8 t -132.36 -58.06 0.94 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.968 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 169.99 95.35 0.1 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.477 1.111 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 162.79 36.56 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.503 1.791 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 61.4 p -178.7 161.43 1.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.004 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 10.7 t -157.62 157.3 33.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.996 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 -179.98 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.2 p -98.11 -53.74 3.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 0.792 . . . . 0.0 109.985 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.8 t 44.38 83.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.045 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.44 94.38 0.66 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.529 1.143 . . . . 0.0 110.965 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.5 t 73.78 -66.25 0.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 0.759 . . . . 0.0 109.99 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.1 m 62.97 91.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.979 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.86 152.53 23.6 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.48 1.112 . . . . 0.0 110.99 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.79 127.05 31.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 0.777 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.415 HG21 ' N ' ' A' ' 10' ' ' ALA . 5.7 mm -105.85 145.64 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.415 ' N ' HG21 ' A' ' 9' ' ' ILE . . . -132.83 133.93 43.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -94.53 115.78 28.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.476 ' CG1' ' O ' ' A' ' 27' ' ' ALA . 86.5 t -54.55 133.83 17.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.471 ' CG2' ' HB3' ' A' ' 65' ' ' LYS . 53.9 p -114.33 -21.23 10.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.383 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.418 ' HB2' ' ND1' ' A' ' 63' ' ' HIS . 1.7 m -143.5 137.77 28.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 110.015 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.469 ' CB ' ' HD3' ' A' ' 28' ' ' PRO . . . -66.89 138.76 57.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.467 ' O ' ' N ' ' A' ' 26' ' ' LEU . 68.7 t80 -142.89 130.88 21.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 111.032 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -115.56 97.58 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.466 ' CB ' ' HB3' ' A' ' 23' ' ' GLN . . . -44.69 167.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.8 p -126.34 -47.23 1.6 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 109.982 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.42 ' H ' ' NE2' ' A' ' 23' ' ' GLN . . . -63.59 -155.23 0.1 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.545 1.153 . . . . 0.0 111.027 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.4 m -111.65 -25.49 9.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 0.782 . . . . 0.0 109.952 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.445 ' O ' ' CA ' ' A' ' 57' ' ' GLY . 27.9 mp0 -92.56 -20.86 20.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.466 ' HB3' ' CB ' ' A' ' 18' ' ' ALA . 0.8 OUTLIER -66.19 153.27 42.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 110.273 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.447 ' CD1' ' HB3' ' A' ' 55' ' ' GLN . 24.1 tp -123.18 133.19 54.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.3 m -78.44 141.4 38.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.949 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.479 HD11 ' CD1' ' A' ' 59' ' ' PHE . 15.3 mt -114.68 146.49 40.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.476 ' O ' ' CG1' ' A' ' 12' ' ' VAL . . . -130.78 143.05 47.77 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.339 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.469 ' HD3' ' CB ' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -75.03 114.09 3.94 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.487 1.783 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.92 15.68 10.61 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.482 1.114 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.413 ' NE2' HD21 ' A' ' 47' ' ' LEU . 16.5 mt-30 -116.8 173.88 6.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 0.77 . . . . 0.0 110.276 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 44.0 mt -127.68 143.67 51.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.085 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.47 HD12 ' CD2' ' A' ' 26' ' ' LEU . 5.5 mt -134.58 143.65 37.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.251 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.421 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 3.8 tt -101.16 113.8 27.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.468 ' CG2' ' HE3' ' A' ' 37' ' ' LYS . 39.0 mm -65.98 125.33 22.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.35 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.7 mt -112.14 -32.81 6.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.06 144.79 31.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.568 ' HG2' ' CD1' ' A' ' 43' ' ' TRP . 70.2 mttt -132.19 146.75 52.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.402 ' OD1' ' C ' ' A' ' 38' ' ' ASN . 37.4 p-10 -138.7 168.85 18.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.2 t -80.61 -32.87 36.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.412 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.39 -41.96 9.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.145 . . . . 0.0 110.016 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 124.14 -0.26 8.95 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 75.4 m95 -97.02 132.8 42.47 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.568 ' CD1' ' HG2' ' A' ' 37' ' ' LYS . 35.1 m0 -116.99 142.3 47.13 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.516 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 36.8 tt0 -113.39 101.46 9.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.421 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -131.09 -163.67 11.0 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.459 1.1 . . . . 0.0 110.98 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -131.88 130.54 41.78 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.49 0.759 . . . . 0.0 110.281 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.441 ' HA ' ' CG1' ' A' ' 32' ' ' ILE . 0.3 OUTLIER -60.95 111.62 1.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -90.52 28.05 1.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.332 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -121.74 133.63 54.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 59.75 155.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.289 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -101.94 -134.43 8.43 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.552 1.158 . . . . 0.0 110.956 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 76.18 -58.28 0.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 0.766 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -148.0 145.12 28.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.415 1.072 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 68.8 mmt-85 -88.54 88.23 7.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.331 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.447 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -54.08 114.9 1.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.291 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.33 132.78 39.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.445 ' CA ' ' O ' ' A' ' 22' ' ' GLU . . . 175.44 -173.22 46.11 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.516 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 74.2 m95 -99.58 145.53 27.43 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.485 ' C ' ' CD1' ' A' ' 59' ' ' PHE . 6.3 p90 -155.23 159.85 31.39 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 111.03 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 131.18 14.01 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.519 1.8 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.49 -14.15 61.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.5 t -71.57 -9.22 57.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.007 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.418 ' ND1' ' HB2' ' A' ' 16' ' ' TYR . 6.5 m-70 -97.34 -16.97 20.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.576 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.4 m -120.13 173.17 6.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.471 ' HB3' ' CG2' ' A' ' 13' ' ' THR . 4.6 ttpt -139.48 125.71 20.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.7 mt -58.49 134.21 56.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.9 mt -89.94 13.57 14.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.18 154.77 4.51 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.551 1.157 . . . . 0.0 110.983 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 100.04 1.31 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.512 1.796 . . . . 0.0 111.019 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.4 m -154.42 -61.25 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.996 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 62.1 162.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.02 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.52 141.4 29.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -123.43 150.52 43.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -131.11 111.39 11.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.14 145.53 35.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.036 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -125.05 -164.29 11.84 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 128.94 11.87 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.489 1.783 . . . . 0.0 110.984 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 63.4 p -65.84 123.31 19.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.952 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.8 m 63.62 166.13 0.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.118 . . . . 0.0 110.006 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.13 . . . . 0.0 110.977 179.954 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t 62.99 90.96 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 0.769 . . . . 0.0 110.026 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.5 p -159.16 148.55 18.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.014 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.16 123.64 0.85 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.1 m -55.58 -64.58 0.8 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 0.766 . . . . 0.0 110.034 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.11 110.36 3.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.032 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.29 130.08 1.09 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.41 118.03 5.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 0.791 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.3 mm -98.99 141.46 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -128.58 135.52 49.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.273 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -98.11 118.32 34.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.312 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.429 ' CG1' ' O ' ' A' ' 27' ' ' ALA . 78.9 t -60.94 131.98 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 79.9 p -114.78 -21.77 10.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.4 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -140.0 128.85 23.31 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.132 . . . . 0.0 110.005 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.484 ' CB ' ' HD3' ' A' ' 28' ' ' PRO . . . -62.6 147.29 49.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -139.44 153.79 47.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 46.9 t -125.95 105.73 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -40.72 146.66 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.71 54.44 1.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.978 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -171.54 -138.93 2.65 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.482 1.114 . . . . 0.0 111.025 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.79 -39.12 2.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 0.749 . . . . 0.0 110.033 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -106.14 40.0 1.68 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 110.321 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -113.01 147.32 37.42 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 110.258 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.464 ' CD1' ' HB3' ' A' ' 55' ' ' GLN . 33.8 tp -119.0 129.81 55.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.3 p -71.91 134.48 46.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.994 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.571 HD13 ' CD1' ' A' ' 59' ' ' PHE . 11.2 mt -108.73 144.58 36.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.429 ' O ' ' CG1' ' A' ' 12' ' ' VAL . . . -130.63 142.8 46.83 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.484 ' HD3' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.0 111.81 3.41 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.454 1.765 . . . . 0.0 110.97 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.36 20.26 6.71 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.523 1.139 . . . . 0.0 111.023 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -117.65 -178.36 3.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 0.777 . . . . 0.0 110.315 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 70.7 mt -134.49 145.99 49.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.466 ' CD1' HD21 ' A' ' 26' ' ' LEU . 5.7 mt -140.32 145.52 25.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.108 . . . . 0.0 109.346 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.423 ' N ' HG21 ' A' ' 32' ' ' ILE . 0.6 OUTLIER -101.33 112.96 25.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 48.5 mm -65.21 123.24 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.408 HD13 ' NZ ' ' A' ' 56' ' ' LYS . 9.1 mt -109.35 -56.72 2.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.96 143.83 50.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.526 ' HD3' ' CE2' ' A' ' 43' ' ' TRP . 8.0 mttt -125.28 170.07 11.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.583 HD22 ' N ' ' A' ' 42' ' ' TRP . 0.5 OUTLIER -146.37 -173.08 4.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.7 p -112.51 36.68 3.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.402 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.493 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 0.2 OUTLIER -131.05 -40.96 1.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.027 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 134.49 -8.14 4.64 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.486 1.116 . . . . 0.0 110.966 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.583 ' N ' HD22 ' A' ' 38' ' ' ASN . 93.3 m95 -85.67 96.71 9.78 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.526 ' CE2' ' HD3' ' A' ' 37' ' ' LYS . 38.1 m0 -92.53 140.47 29.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 108.003 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.519 ' HB2' ' CD2' ' A' ' 58' ' ' TRP . 28.3 tt0 -108.87 102.53 11.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -137.92 -174.74 13.52 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.531 1.145 . . . . 0.0 111.034 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.515 ' CG ' ' HB2' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -118.32 152.43 35.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 0.791 . . . . 0.0 110.328 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.436 ' HB2' ' CB ' ' A' ' 55' ' ' GLN . 0.3 OUTLIER -81.94 112.84 19.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.093 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -90.38 25.63 2.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.255 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -114.46 61.49 0.67 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 50.85 179.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.286 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 131.66 108.52 1.18 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 0.0 111.025 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt -42.54 -53.97 4.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 0.79 . . . . 0.0 109.295 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.7 108.83 20.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.49 124.17 1.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.308 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.464 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 41.0 mt-30 -96.15 94.5 7.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.515 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . 3.2 tptm -134.33 126.38 29.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -168.1 -179.12 40.41 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.48 1.112 . . . . 0.0 110.949 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.519 ' CD2' ' HB2' ' A' ' 44' ' ' GLN . 75.3 m95 -92.4 117.97 30.46 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.571 ' CD1' HD13 ' A' ' 26' ' ' LEU . 14.6 p90 -130.12 160.12 66.99 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.5 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.3 Cg_endo -75.06 130.26 13.05 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.485 1.781 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.449 ' HB2' ' CD2' ' A' ' 43' ' ' TRP . . . -71.17 -16.41 62.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.9 m -69.77 -8.63 49.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.994 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.5 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 9.2 m-70 -98.09 -15.67 19.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.612 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.409 ' O ' ' O ' ' A' ' 61' ' ' ALA . 2.3 m -125.69 173.48 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.573 1.171 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -136.57 133.89 36.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.9 mt -67.92 134.3 50.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.8 mt -87.21 12.04 12.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -125.46 80.8 0.36 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.515 1.135 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -37.86 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.504 1.791 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -173.9 85.76 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.035 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.3 t -83.73 125.78 32.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.003 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -129.63 92.22 3.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.333 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 1.9 mtp-105 58.8 87.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.347 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.09 96.52 0.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 39.71 90.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.008 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -76.61 -83.81 0.48 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.437 1.085 . . . . 0.0 111.034 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 134.81 18.2 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.505 1.792 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.76 -61.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.994 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.01 81.52 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.003 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.12 . . . . 0.0 111.031 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.92 -58.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 0.774 . . . . 0.0 110.027 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.3 p -91.71 110.88 22.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.973 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.67 59.67 2.61 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.3 t -178.24 102.85 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 0.777 . . . . 0.0 110.012 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.61 79.01 1.8 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.039 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.4 171.79 44.84 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.559 1.162 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -76.06 124.51 27.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 0.792 . . . . 0.0 110.284 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.5 mm -100.1 146.29 9.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -133.02 133.89 43.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 109.253 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.412 ' CB ' HD23 ' A' ' 67' ' ' LEU . 15.0 tt0 -94.48 117.25 29.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.271 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.437 ' CG1' ' O ' ' A' ' 27' ' ' ALA . 88.9 t -57.67 134.07 22.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.45 ' CG2' ' HB3' ' A' ' 65' ' ' LYS . 63.4 p -114.74 -20.39 10.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.433 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.2 m -143.59 136.26 27.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.053 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.455 ' CB ' ' HD3' ' A' ' 28' ' ' PRO . . . -66.7 145.57 55.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.484 ' O ' ' N ' ' A' ' 26' ' ' LEU . 75.1 t80 -149.46 130.8 14.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -112.88 111.15 34.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.469 ' HB1' ' CB ' ' A' ' 23' ' ' GLN . . . -46.17 158.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.3 p -156.3 40.29 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.979 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -147.58 -145.54 4.19 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.518 1.136 . . . . 0.0 110.977 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.05 -29.58 7.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 0.757 . . . . 0.0 109.995 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.98 53.11 1.52 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.469 ' CB ' ' HB1' ' A' ' 18' ' ' ALA . 26.8 mt-30 -128.0 143.23 51.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.286 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.436 ' CD1' ' HB3' ' A' ' 55' ' ' GLN . 33.3 tp -116.14 130.74 56.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 55.9 p -74.88 141.03 44.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.16 . . . . 0.0 110.0 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.495 HD13 ' CD1' ' A' ' 59' ' ' PHE . 14.4 mt -112.1 152.93 27.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.437 ' O ' ' CG1' ' A' ' 12' ' ' VAL . . . -138.57 140.35 27.53 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.455 ' HD3' ' CB ' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.96 114.07 3.94 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.547 1.814 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.07 20.76 7.37 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -119.0 177.76 4.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 0.0 110.314 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 85.6 mt -131.59 138.66 48.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.313 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.418 HG22 ' N ' ' A' ' 33' ' ' LEU . 5.6 mt -131.23 152.38 37.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.43 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 11.1 tp -108.89 118.05 35.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.167 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 30.8 mm -70.65 124.5 26.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.9 -47.46 3.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.84 147.69 51.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -127.46 132.24 50.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.437 ' OD1' ' N ' ' A' ' 39' ' ' THR . 51.0 t-20 -98.46 155.88 17.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.437 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 7.7 t -82.26 4.01 25.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.4 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.414 ' HB2' ' ND2' ' A' ' 38' ' ' ASN . 0.4 OUTLIER -98.26 -31.65 11.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.021 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 132.94 -13.34 5.01 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.484 1.115 . . . . 0.0 110.966 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 80.8 m95 -79.08 129.5 34.52 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 43.0 m0 -114.87 141.54 47.78 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 108.011 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.527 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 49.9 tt0 -108.45 95.27 5.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.43 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -122.65 -179.75 15.94 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.529 1.143 . . . . 0.0 111.019 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.489 ' CG ' ' O ' ' A' ' 55' ' ' GLN . 3.0 tt0 -126.12 121.85 34.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 0.754 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.415 ' HA ' ' CG1' ' A' ' 32' ' ' ILE . 0.4 OUTLIER -51.09 126.54 16.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.6 mm-40 -90.7 29.55 1.3 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 110.335 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -137.74 110.13 7.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.0 mtt85 -41.77 141.1 0.87 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.443 ' O ' ' CB ' ' A' ' 52' ' ' LYS . . . -168.37 66.94 0.18 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.455 1.097 . . . . 0.0 111.019 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.443 ' CB ' ' O ' ' A' ' 51' ' ' GLY . 1.0 OUTLIER 83.63 -65.65 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 0.739 . . . . 0.0 109.326 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.0 tptt -142.33 147.26 36.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -45.94 105.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.276 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.489 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 0.8 OUTLIER -66.01 137.57 57.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.271 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -166.39 125.19 1.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -175.47 -174.56 42.16 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.482 1.114 . . . . 0.0 111.014 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.527 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 85.1 m95 -99.67 114.61 27.81 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.495 ' CD1' HD13 ' A' ' 26' ' ' LEU . 12.3 p90 -122.93 160.83 47.63 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.469 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.1 Cg_endo -75.01 129.94 12.8 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.485 1.782 . . . . 0.0 110.999 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.16 -19.51 62.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 109.292 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.0 m -65.29 -10.88 36.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.962 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.469 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 10.7 m-70 -95.94 -21.93 17.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.595 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.6 m -114.25 172.75 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.271 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.45 ' HB3' ' CG2' ' A' ' 13' ' ' THR . 0.8 OUTLIER -143.4 125.4 15.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.6 mt -54.69 134.12 47.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.412 HD23 ' CB ' ' A' ' 11' ' ' GLN . 9.6 mt -90.66 14.75 12.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 125.96 100.9 1.23 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.536 1.148 . . . . 0.0 110.955 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 175.33 11.38 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.455 1.766 . . . . 0.0 111.035 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.7 t -148.58 133.19 17.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 109.993 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.3 t -140.71 164.06 31.22 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.438 1.086 . . . . 0.0 109.976 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.54 78.28 5.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 23.8 mmt85 51.28 96.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 110.328 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -117.62 133.51 55.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.5 m -116.78 -55.63 2.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 0.0 110.017 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 100.13 156.31 28.03 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 175.11 11.67 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.492 1.785 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.6 m -134.78 123.22 23.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.0 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.8 m -75.01 157.96 34.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.993 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 179.983 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.4 m -84.31 89.15 7.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 0.75 . . . . 0.0 110.035 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.77 -57.76 2.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.977 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.4 -156.34 20.39 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.537 1.148 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.9 p -175.15 157.46 2.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 0.788 . . . . 0.0 110.013 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.3 149.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.036 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.55 170.47 22.21 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -81.52 115.4 20.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 0.765 . . . . 0.0 110.299 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.6 mm -88.19 140.86 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -124.82 139.8 53.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -101.2 117.7 35.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.282 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.443 ' CG1' ' O ' ' A' ' 27' ' ' ALA . 87.3 t -60.22 127.41 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 55.0 p -111.89 -9.57 14.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 0.0 110.381 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -155.14 132.79 11.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 110.007 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.463 ' CB ' ' HD3' ' A' ' 28' ' ' PRO . . . -63.34 147.72 50.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -138.71 156.2 47.6 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.516 1.135 . . . . 0.0 110.946 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 57.2 t -125.0 109.23 21.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.449 ' CB ' ' HB3' ' A' ' 23' ' ' GLN . . . -42.08 162.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.08 -51.07 2.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.99 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 22' ' ' GLU . . . 161.75 -43.18 0.38 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.507 1.13 . . . . 0.0 110.98 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.409 ' C ' ' N ' ' A' ' 23' ' ' GLN . 0.0 OUTLIER -63.11 77.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.755 . . . . 0.0 109.976 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 20' ' ' GLY . 1.7 tt0 41.57 27.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.328 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.449 ' HB3' ' CB ' ' A' ' 18' ' ' ALA . 2.2 mp0 -62.32 172.73 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.452 ' CD1' ' HB3' ' A' ' 55' ' ' GLN . 9.9 tp -139.73 126.43 20.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.15 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.6 m -74.92 123.46 25.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 110.022 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.556 HD13 ' CD1' ' A' ' 59' ' ' PHE . 9.0 mt -103.83 148.54 26.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.443 ' O ' ' CG1' ' A' ' 12' ' ' VAL . . . -132.26 144.32 52.57 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.463 ' HD3' ' CB ' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.05 111.62 3.37 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.512 1.796 . . . . 0.0 111.003 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.69 19.97 7.12 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.412 ' NE2' HD11 ' A' ' 47' ' ' LEU . 13.0 mt-30 -118.53 169.73 9.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 110.268 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 81.4 mt -122.46 142.14 50.88 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.481 ' CG1' ' HA ' ' A' ' 47' ' ' LEU . 6.9 mt -135.23 153.6 34.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.452 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 6.8 tp -110.73 115.6 29.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.439 ' CG2' ' HE3' ' A' ' 37' ' ' LYS . 38.7 mm -67.43 123.15 19.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.473 ' CD1' ' HA2' ' A' ' 45' ' ' GLY . 1.0 OUTLIER -111.26 -33.91 6.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 109.275 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -147.13 153.69 40.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.439 ' HD3' ' CE2' ' A' ' 43' ' ' TRP . 13.3 mttp -129.08 163.0 26.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -138.56 152.57 48.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.158 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 41.1 p -68.03 -32.38 72.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.431 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.5 t -62.12 -45.36 93.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.032 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 140.68 -13.18 2.93 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -73.21 127.17 31.84 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.439 ' CE2' ' HD3' ' A' ' 37' ' ' LYS . 42.9 m0 -115.26 142.99 45.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 108.044 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.524 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 46.3 tt0 -111.88 97.97 7.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 110.262 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.473 ' HA2' ' CD1' ' A' ' 35' ' ' LEU . . . -131.42 -172.47 13.1 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.458 1.099 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.414 ' N ' HD11 ' A' ' 35' ' ' LEU . 1.6 tt0 -128.3 134.59 48.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 0.792 . . . . 0.0 110.329 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.481 ' HA ' ' CG1' ' A' ' 32' ' ' ILE . 7.7 tp -69.93 140.5 53.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -110.95 66.07 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.281 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -151.14 161.95 41.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.03 132.43 47.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.27 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -171.2 168.11 41.25 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -45.17 -61.47 1.63 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 0.745 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -135.12 135.95 41.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.0 mtt85 -41.95 104.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.27 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.452 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 1.7 mp0 -56.43 129.8 42.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.69 128.65 8.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.31 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.412 ' CA ' ' HB2' ' A' ' 24' ' ' LEU . . . 176.77 -171.12 44.04 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.54 1.15 . . . . 0.0 111.008 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.524 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 82.0 m95 -94.4 138.36 32.44 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.556 ' CD1' HD13 ' A' ' 26' ' ' LEU . 5.9 p90 -151.04 158.51 34.71 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.438 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.4 Cg_endo -74.98 131.72 14.64 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.497 1.788 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.17 -12.07 60.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -72.39 -13.5 61.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.993 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.438 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 8.2 m-70 -92.77 -20.46 20.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.57 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.4 m -119.94 175.39 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -136.96 132.69 34.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.3 mt -67.14 134.13 51.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.8 mt -93.47 13.65 21.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.62 -165.83 36.1 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.512 1.132 . . . . 0.0 110.961 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 141.21 26.25 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.48 1.779 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.6 t -126.42 86.18 2.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.019 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 38.7 t -110.32 140.46 44.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.023 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.7 115.42 3.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.261 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 67.4 mtt180 -128.16 124.94 38.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.423 1.077 . . . . 0.0 110.309 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -123.96 149.77 45.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.94 134.84 0.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.036 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.36 146.31 49.75 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 175.74 10.83 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.525 1.803 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 73.4 m -153.16 157.96 41.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.956 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 60.7 p -162.52 166.62 24.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.993 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.47 1.106 . . . . 0.0 110.966 179.959 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.5 m 61.61 117.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 0.735 . . . . 0.0 110.03 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -158.35 -57.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.018 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.05 96.77 0.28 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.542 1.151 . . . . 0.0 111.028 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.5 -62.58 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 0.739 . . . . 0.0 109.998 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.26 95.55 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.935 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.94 146.58 6.35 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -71.89 119.11 15.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 0.77 . . . . 0.0 110.26 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.45 HD11 ' CD1' ' A' ' 33' ' ' LEU . 10.7 mm -92.39 144.06 10.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -134.86 130.22 35.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.418 ' CB ' HD22 ' A' ' 67' ' ' LEU . 26.3 tt0 -93.56 121.22 34.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.513 ' CG1' ' O ' ' A' ' 27' ' ' ALA . 99.8 t -58.26 136.29 21.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.465 ' CG2' ' HB3' ' A' ' 65' ' ' LYS . 63.0 p -115.2 -28.31 6.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.374 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -140.12 133.08 29.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.039 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.498 ' CB ' ' HD3' ' A' ' 28' ' ' PRO . . . -61.97 142.22 57.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -132.93 155.43 49.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 111.028 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 52.4 t -129.71 108.51 16.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.72 177.42 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.72 -46.96 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.095 . . . . 0.0 109.968 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.11 -160.03 0.35 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.87 -22.14 13.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 0.762 . . . . 0.0 109.995 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.5 41.27 2.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -115.44 152.48 32.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.266 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.426 ' CD1' ' HB3' ' A' ' 55' ' ' GLN . 23.2 tp -124.5 129.4 50.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 86.6 p -73.6 132.07 42.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.989 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.583 HD11 ' CD1' ' A' ' 59' ' ' PHE . 10.7 mt -110.84 150.15 29.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.513 ' O ' ' CG1' ' A' ' 12' ' ' VAL . . . -135.59 145.76 54.65 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.498 ' HD3' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.97 110.82 3.19 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.47 1.774 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 120.09 -4.09 12.69 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.472 ' C ' ' CD2' ' A' ' 31' ' ' LEU . 17.7 mt-30 -109.73 150.02 28.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.746 . . . . 0.0 110.307 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.618 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -106.74 153.89 21.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.471 ' CG1' ' HA ' ' A' ' 47' ' ' LEU . 4.4 mt -136.45 136.74 48.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.496 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 5.7 tp -87.98 115.04 25.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 33.7 mm -67.94 132.09 32.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.582 1.176 . . . . 0.0 109.283 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.447 HD12 ' CA ' ' A' ' 45' ' ' GLY . 0.8 OUTLIER -114.72 -42.21 3.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -138.95 166.03 25.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 48.1 mttt -133.01 156.05 48.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.436 ' OD1' ' CB ' ' A' ' 40' ' ' SER . 18.2 t-20 -128.56 159.27 36.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.9 p -80.34 -22.78 41.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 110.404 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.436 ' CB ' ' OD1' ' A' ' 38' ' ' ASN . 7.3 m -76.43 -27.67 56.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.021 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 122.42 -1.08 10.43 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.507 1.13 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.406 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 91.0 m95 -81.68 121.05 25.89 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 40.0 m0 -109.29 142.74 39.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 108.002 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.565 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 40.1 tt0 -110.93 98.65 7.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.31 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.496 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -126.34 -171.26 13.1 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.483 1.114 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -130.87 127.08 37.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 0.785 . . . . 0.0 110.307 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.471 ' HA ' ' CG1' ' A' ' 32' ' ' ILE . 1.0 OUTLIER -50.06 128.86 19.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -89.67 27.0 1.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.304 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -170.31 -174.6 1.74 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 61.58 117.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.322 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.47 135.14 12.04 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.445 1.091 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -173.29 -60.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 0.809 . . . . 0.0 109.326 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -170.27 56.22 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 38.73 85.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.113 . . . . 0.0 110.268 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.426 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 0.9 OUTLIER -54.23 127.76 28.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 110.262 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -157.45 123.75 4.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -173.86 -175.67 41.71 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.474 1.109 . . . . 0.0 110.989 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.565 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 86.2 m95 -99.58 129.03 45.7 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.583 ' CD1' HD11 ' A' ' 26' ' ' LEU . 5.7 p90 -138.8 160.85 61.38 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.466 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.3 Cg_endo -74.99 131.44 14.31 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.516 1.798 . . . . 0.0 111.017 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.93 -17.45 62.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.9 -10.42 53.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.006 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.466 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 8.6 m-70 -96.95 -25.02 15.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.598 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.5 m -111.85 175.35 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.465 ' HB3' ' CG2' ' A' ' 13' ' ' THR . 0.6 OUTLIER -142.01 125.87 17.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.6 mt -61.92 133.47 55.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.454 HD13 ' CD1' ' A' ' 31' ' ' LEU . 19.1 mt -89.01 14.78 9.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.424 1.078 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 56.2 -155.57 12.93 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.507 1.129 . . . . 0.0 111.048 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 131.36 14.18 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.478 1.778 . . . . 0.0 111.005 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.5 p -140.95 -51.11 0.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.133 . . . . 0.0 110.021 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 95.7 p -56.45 111.18 0.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.016 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -124.75 125.47 44.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.5 mmt-85 -132.99 128.74 37.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.27 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.73 88.53 5.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 109.266 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.5 t -153.33 136.62 15.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.996 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -38.97 145.44 0.21 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.437 1.086 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -50.33 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.445 1.761 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 25.8 m 62.16 166.07 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.027 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 66.6 m -98.73 120.83 39.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.988 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 -179.992 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.1 147.62 6.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 0.759 . . . . 0.0 109.978 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.27 118.47 36.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.119 . . . . 0.0 110.004 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.19 149.11 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.522 1.139 . . . . 0.0 111.031 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.6 m -157.81 73.32 0.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.764 . . . . 0.0 110.013 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.35 71.3 0.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.979 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.21 156.71 23.65 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -90.11 126.18 35.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 0.756 . . . . 0.0 110.308 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.2 mm -90.99 146.64 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -129.79 132.01 46.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -97.15 120.14 36.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.407 ' CB ' ' O ' ' A' ' 27' ' ' ALA . 85.2 t -56.78 133.62 21.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.45 ' CG2' ' HB3' ' A' ' 65' ' ' LYS . 71.5 p -117.08 -10.76 10.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.411 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -155.8 131.85 10.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.972 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.472 ' CB ' ' HD3' ' A' ' 28' ' ' PRO . . . -64.29 143.39 57.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -132.91 154.17 50.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 44.1 t -127.12 101.01 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.73 141.94 54.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.472 ' H ' ' NE2' ' A' ' 23' ' ' GLN . 1.1 t -82.51 -60.58 2.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.987 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 150.79 91.1 0.08 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.561 1.163 . . . . 0.0 111.005 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.461 ' CB ' ' OE1' ' A' ' 23' ' ' GLN . 0.1 OUTLIER 173.2 59.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 0.774 . . . . 0.0 109.985 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 58' ' ' TRP . 0.6 OUTLIER 68.33 18.31 9.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.304 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.472 ' NE2' ' H ' ' A' ' 19' ' ' SER . 3.4 mt-30 -86.02 162.92 18.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.462 ' CD1' ' HB3' ' A' ' 55' ' ' GLN . 7.4 tp -129.62 132.3 46.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.2 p -76.64 136.97 39.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.953 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.535 HD12 ' CD1' ' A' ' 59' ' ' PHE . 17.5 mt -111.76 146.7 37.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.407 ' O ' ' CB ' ' A' ' 12' ' ' VAL . . . -132.4 141.77 42.49 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.472 ' HD3' ' CB ' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.98 114.75 4.1 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.446 1.761 . . . . 0.0 110.974 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.35 19.17 8.12 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 0.0 110.94 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -118.65 178.9 4.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 0.755 . . . . 0.0 110.267 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.8 mt -132.98 138.56 46.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.265 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.495 ' CG1' ' HA ' ' A' ' 47' ' ' LEU . 8.7 mt -134.73 140.07 46.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.419 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 3.1 tm? -95.07 129.61 42.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.4 mm -79.34 116.39 23.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.467 ' CD1' ' HA2' ' A' ' 45' ' ' GLY . 0.6 OUTLIER -102.89 -54.73 2.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -127.79 153.58 46.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.8 mttp -126.09 169.03 13.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.329 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -143.47 150.48 39.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 12.9 t -83.83 52.41 2.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.409 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.62 -46.07 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.002 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.93 -19.36 1.42 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.496 1.122 . . . . 0.0 110.963 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 89.4 m95 -79.55 126.62 31.11 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.423 ' CD2' ' HB1' ' A' ' 61' ' ' ALA . 38.9 m0 -117.49 141.08 48.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 108.004 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.528 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 47.4 tt0 -104.67 95.64 6.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.467 ' HA2' ' CD1' ' A' ' 35' ' ' LEU . . . -128.23 -173.05 13.34 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.52 1.137 . . . . 0.0 110.975 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -132.69 132.86 42.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 110.303 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.495 ' HA ' ' CG1' ' A' ' 32' ' ' ILE . 10.0 tp -65.45 137.81 57.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 93.5 mm-40 -106.4 60.59 0.64 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -138.03 142.86 40.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.9 mtt-85 -64.36 115.59 5.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -147.72 -159.79 8.58 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.472 1.107 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -88.64 -59.76 2.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 0.755 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.64 119.41 36.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.7 mtt180 -48.59 99.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.462 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -53.09 117.6 3.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.087 . . . . 0.0 110.3 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.19 127.92 11.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.425 ' N ' ' HB2' ' A' ' 24' ' ' LEU . . . -179.34 -166.02 34.47 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.521 1.138 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.528 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 87.1 m95 -100.29 120.35 39.79 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.535 ' CD1' HD12 ' A' ' 26' ' ' LEU . 5.9 p90 -132.52 158.67 75.07 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.14 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.429 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.2 Cg_endo -75.06 132.27 15.16 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.481 1.779 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.423 ' HB1' ' CD2' ' A' ' 43' ' ' TRP . . . -71.32 -15.77 62.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.18 -23.43 64.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 110.034 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.429 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 14.5 m-70 -86.08 -13.05 48.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.597 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.408 ' O ' ' O ' ' A' ' 61' ' ' ALA . 1.4 m -122.81 175.66 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.45 ' HB3' ' CG2' ' A' ' 13' ' ' THR . 0.1 OUTLIER -143.34 122.35 12.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.9 mt -59.94 133.11 55.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 28.3 mt -93.97 16.04 15.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 39.47 -144.74 0.32 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.45 1.094 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 126.69 10.12 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.476 1.777 . . . . 0.0 111.023 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 43.2 t -117.07 -59.56 1.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.003 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 68.8 m 58.88 171.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.118 . . . . 0.0 110.018 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 66.78 102.8 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.288 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -68.36 161.07 28.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.277 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -140.05 152.98 46.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.0 t 71.14 -65.73 0.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.023 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 124.37 114.15 2.06 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.128 . . . . 0.0 111.037 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 129.17 12.1 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.476 1.777 . . . . 0.0 111.016 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 49.6 p -152.22 156.79 40.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.978 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.7 t -120.23 154.2 35.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.999 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.48 1.112 . . . . 0.0 110.976 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.02 149.8 48.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 0.781 . . . . 0.0 110.021 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.0 t -122.17 -58.58 1.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.007 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.91 -118.78 3.41 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.6 t -176.26 90.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 0.782 . . . . 0.0 110.026 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.9 m -95.58 -56.99 2.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 110.002 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.29 139.57 12.01 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.56 107.07 4.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 0.735 . . . . 0.0 110.326 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.9 mm -80.67 145.86 8.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -123.86 146.33 48.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.349 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -108.32 111.11 22.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 110.292 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.415 ' CG1' ' O ' ' A' ' 27' ' ' ALA . 86.7 t -55.72 131.52 18.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.317 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 69.2 p -115.98 -14.9 11.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.39 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.98 128.91 15.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.018 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.488 ' CB ' ' HD3' ' A' ' 28' ' ' PRO . . . -62.89 145.34 55.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -138.11 151.11 47.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 111.021 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 55.6 t -125.99 101.75 8.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.1 147.69 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.3 m -88.81 -57.28 2.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.996 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 148.89 75.91 0.02 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.466 1.104 . . . . 0.0 111.032 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 176.4 77.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 0.753 . . . . 0.0 109.955 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.412 ' OE1' ' NZ ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER 52.52 32.87 12.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.321 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -95.8 161.41 14.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.081 . . . . 0.0 110.316 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.455 ' CD1' ' HB3' ' A' ' 55' ' ' GLN . 10.3 tp -130.15 129.24 43.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 21.2 m -71.46 138.15 48.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.0 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.584 HD11 ' CD1' ' A' ' 59' ' ' PHE . 12.8 mt -118.27 142.34 47.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.415 ' O ' ' CG1' ' A' ' 12' ' ' VAL . . . -128.59 144.76 53.4 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.488 ' HD3' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.97 111.84 3.42 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.524 1.802 . . . . 0.0 111.027 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 113.0 17.33 7.9 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.496 1.122 . . . . 0.0 110.992 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.403 ' NE2' HD11 ' A' ' 47' ' ' LEU . 12.0 mt-30 -114.52 175.67 5.38 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 0.732 . . . . 0.0 110.304 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.0 mt -131.55 141.61 49.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.492 ' CG1' ' HA ' ' A' ' 47' ' ' LEU . 6.6 mt -135.52 149.9 28.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.415 ' N ' HG21 ' A' ' 32' ' ' ILE . 5.5 tp -104.07 115.95 31.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 51.1 mm -67.47 122.87 19.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.457 ' CD1' ' HA2' ' A' ' 45' ' ' GLY . 8.0 mt -107.14 -50.38 3.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.62 158.19 43.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 72.0 mttt -129.01 167.89 16.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.44 ' OD1' ' N ' ' A' ' 39' ' ' THR . 35.6 t30 -138.7 163.1 33.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.44 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 3.4 p -93.25 43.89 1.13 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 110.428 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.408 ' HB2' ' ND2' ' A' ' 38' ' ' ASN . 37.8 m -143.13 -42.63 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.035 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 145.1 -15.96 1.92 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.558 1.161 . . . . 0.0 111.0 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -76.93 123.35 26.17 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 38.5 m0 -115.97 143.18 45.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 107.987 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.476 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 29.4 tt0 -108.97 110.95 22.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.133 . . . . 0.0 110.272 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.457 ' HA2' ' CD1' ' A' ' 35' ' ' LEU . . . -152.4 -178.84 27.47 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.561 1.163 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -117.76 154.55 31.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 0.761 . . . . 0.0 110.327 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.492 ' HA ' ' CG1' ' A' ' 32' ' ' ILE . 10.3 tp -85.86 138.67 31.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 52.3 mm-40 -110.56 64.27 0.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -170.17 62.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.346 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 54.07 173.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 159.89 160.36 10.47 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.535 1.147 . . . . 0.0 110.98 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.0 -56.29 8.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.7 pttt -149.57 77.32 1.34 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.9 mtm180 38.69 88.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.455 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -53.39 103.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.266 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.412 ' NZ ' ' OE1' ' A' ' 22' ' ' GLU . 1.4 tmtt? -136.32 134.46 37.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.425 ' N ' ' HB2' ' A' ' 24' ' ' LEU . . . 176.78 -179.33 47.81 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.476 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 80.2 m95 -89.67 120.26 30.79 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.584 ' CD1' HD11 ' A' ' 26' ' ' LEU . 9.8 p90 -132.18 158.54 75.28 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.4 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.4 Cg_endo -74.95 131.01 13.86 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.471 1.774 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.5 -14.57 62.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 62.5 m -70.21 -12.87 61.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.041 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.4 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 8.7 m-70 -95.11 -11.37 28.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.556 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.2 m -128.7 174.81 11.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.2 ptmt -139.11 123.72 18.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.8 mt -57.45 133.22 55.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.319 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.7 mt -94.99 14.49 21.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -156.9 83.49 0.15 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 110.17 3.07 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.491 1.785 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.91 77.77 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.991 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 83.9 p -90.56 128.87 36.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.566 1.166 . . . . 0.0 110.018 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.41 ' CG ' ' O ' ' A' ' 72' ' ' GLU . 4.1 pt-20 -88.74 59.3 5.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.267 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -44.53 144.88 0.96 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 110.31 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.37 113.59 25.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 56.1 m -153.46 169.47 23.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.051 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -75.48 153.49 44.52 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 117.64 4.97 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.473 1.775 . . . . 0.0 110.996 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 55.32 103.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.984 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.91 162.24 29.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.997 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 179.968 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.0 t 44.36 83.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 110.027 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 t -84.12 -58.38 2.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.007 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 54.93 -172.52 1.02 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 0.0 111.029 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 m -114.25 70.78 0.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 0.764 . . . . 0.0 110.017 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.2 m 46.1 68.63 0.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.123 . . . . 0.0 109.944 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.81 179.02 35.23 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.515 1.135 . . . . 0.0 110.94 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -88.64 117.49 27.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 0.768 . . . . 0.0 110.265 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.41 HG21 ' CD1' ' A' ' 67' ' ' LEU . 5.9 mm -90.33 144.65 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -127.28 137.84 52.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -103.78 116.34 32.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.429 ' CG1' ' O ' ' A' ' 27' ' ' ALA . 89.6 t -57.11 130.97 20.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 48.7 p -115.63 -15.36 11.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.407 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -148.31 129.4 14.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.982 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.47 ' CB ' ' HD3' ' A' ' 28' ' ' PRO . . . -62.24 145.45 53.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.273 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -138.49 152.68 48.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.9 t -126.54 118.99 52.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.64 132.08 40.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.7 m -140.44 52.87 1.63 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.035 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -155.86 -110.91 0.35 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.482 1.114 . . . . 0.0 110.966 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.14 -45.35 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 0.782 . . . . 0.0 110.012 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -109.42 33.06 4.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 0.0 110.287 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -94.13 165.67 12.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.319 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.46 ' CD1' ' HB3' ' A' ' 55' ' ' GLN . 11.3 tp -129.65 132.55 46.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.5 m -77.53 130.76 37.37 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 110.007 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.573 HD12 ' CD1' ' A' ' 59' ' ' PHE . 20.0 mt -109.47 145.22 36.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.429 ' O ' ' CG1' ' A' ' 12' ' ' VAL . . . -129.56 142.34 44.94 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.47 ' HD3' ' CB ' ' A' ' 15' ' ' ALA . 18.1 Cg_endo -75.04 113.69 3.85 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.498 1.788 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.6 19.87 7.63 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.416 ' NE2' HD12 ' A' ' 47' ' ' LEU . 17.0 mt-30 -120.65 172.79 7.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 0.738 . . . . 0.0 110.292 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.9 mt -124.33 142.13 51.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.34 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.475 ' CG1' ' HA ' ' A' ' 47' ' ' LEU . 7.1 mt -136.96 139.01 45.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.434 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 2.1 tm? -94.96 128.23 41.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.356 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.456 HG23 ' CE ' ' A' ' 37' ' ' LYS . 36.6 mm -77.64 122.17 31.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.321 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.462 ' CD1' ' HA2' ' A' ' 45' ' ' GLY . 0.6 OUTLIER -107.4 -45.53 4.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.98 146.3 38.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.456 ' CE ' HG23 ' A' ' 34' ' ' ILE . 2.8 mtmt -128.39 155.07 45.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.421 ' ND2' ' HB2' ' A' ' 40' ' ' SER . 26.1 p-10 -133.5 153.13 51.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.457 ' O ' ' CG2' ' A' ' 39' ' ' THR . 8.1 t -81.66 50.87 1.57 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.383 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.421 ' HB2' ' ND2' ' A' ' 38' ' ' ASN . 0.1 OUTLIER -140.28 -44.72 0.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.964 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 140.21 -10.71 3.03 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.5 1.125 . . . . 0.0 110.974 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -90.6 113.13 25.08 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.407 ' CE2' ' HD3' ' A' ' 37' ' ' LYS . 35.6 m0 -105.07 141.38 36.74 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.01 -1.108 . . . . 0.0 108.01 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.527 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 52.8 tt0 -106.11 94.14 5.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.462 ' HA2' ' CD1' ' A' ' 35' ' ' LEU . . . -127.5 -173.52 13.51 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.469 1.106 . . . . 0.0 110.978 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -131.06 136.37 48.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 0.75 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.475 ' HA ' ' CG1' ' A' ' 32' ' ' ILE . 9.6 tp -69.35 137.48 52.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -104.27 59.15 0.71 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.251 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -153.89 171.7 18.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.64 112.82 5.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.321 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -130.05 -169.54 12.53 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.464 1.103 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -69.9 -53.95 15.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 0.779 . . . . 0.0 109.314 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.79 72.85 1.04 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 38.72 90.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.269 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.46 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 1.2 mp0 -52.28 127.96 23.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.336 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.46 125.44 5.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -179.39 -171.93 43.0 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.492 1.12 . . . . 0.0 111.046 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.527 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 80.2 m95 -96.84 116.8 29.79 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.573 ' CD1' HD12 ' A' ' 26' ' ' LEU . 5.4 p90 -126.61 159.38 63.93 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.961 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.485 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.3 Cg_endo -75.07 132.13 14.99 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.483 1.781 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 64' ' ' VAL . . . -71.01 -17.2 62.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 74.5 m -69.73 -9.77 55.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.035 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.485 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 12.0 m-70 -99.35 -13.8 19.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.621 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' A' ' 61' ' ' ALA . 1.5 m -126.4 175.16 8.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.17 132.94 29.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.3 mt -67.96 133.48 49.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.41 ' CD1' HG21 ' A' ' 9' ' ' ILE . 13.2 mt -90.65 10.39 25.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.095 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 58.08 -153.35 26.59 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.522 1.139 . . . . 0.0 110.976 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 106.92 2.37 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.5 1.789 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.0 m -177.59 136.33 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.001 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -156.03 -45.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.999 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -59.6 112.55 1.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.26 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.85 144.08 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 110.295 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 67.56 167.47 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.07 136.92 54.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.96 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -123.87 -120.44 2.54 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.472 1.107 . . . . 0.0 110.974 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 178.95 6.59 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.488 1.783 . . . . 0.0 110.965 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 35.9 p -141.72 -58.81 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 110.025 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.3 m 66.11 93.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.004 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.487 1.117 . . . . 0.0 111.039 179.988 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.8 t -171.52 130.61 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 0.76 . . . . 0.0 110.002 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.75 97.73 3.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.0 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 39.99 68.42 0.55 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.547 1.154 . . . . 0.0 111.001 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.23 157.36 1.34 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 0.778 . . . . 0.0 110.031 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.38 83.12 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.585 1.178 . . . . 0.0 109.994 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.78 131.81 2.52 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -62.33 143.25 57.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 0.783 . . . . 0.0 110.313 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 23.2 mm -110.53 155.24 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.569 ' HA ' ' CD1' ' A' ' 67' ' ' LEU . . . -149.91 134.22 17.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -94.57 127.78 40.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.337 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.405 ' CG1' ' O ' ' A' ' 27' ' ' ALA . 96.2 t -66.11 130.84 31.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 51.0 p -113.25 -24.32 9.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.381 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -137.19 130.46 31.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.992 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.487 ' CB ' ' HD3' ' A' ' 28' ' ' PRO . . . -65.05 142.26 58.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.536 1.148 . . . . 0.0 109.326 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.423 ' HB2' ' ND1' ' A' ' 63' ' ' HIS . 64.1 t80 -133.48 153.62 51.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.968 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 39.1 t -128.94 121.83 55.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.142 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.74 154.4 11.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.307 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.24 39.98 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.988 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -147.39 -118.48 1.05 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.456 1.098 . . . . 0.0 111.046 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.73 -45.61 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 0.754 . . . . 0.0 110.03 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -108.4 42.87 1.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -107.4 151.66 25.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.332 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.449 ' CD1' ' HB3' ' A' ' 55' ' ' GLN . 19.4 tp -122.46 129.77 52.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 90.1 p -74.24 122.18 22.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.996 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.562 HD12 ' CD1' ' A' ' 59' ' ' PHE . 11.5 mt -98.2 149.27 22.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.405 ' O ' ' CG1' ' A' ' 12' ' ' VAL . . . -133.36 140.84 38.37 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.487 ' HD3' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.96 113.76 3.87 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.478 1.778 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.35 20.67 6.91 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.499 1.125 . . . . 0.0 111.031 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -120.79 -178.62 3.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 0.74 . . . . 0.0 110.327 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 58.5 mt -133.31 145.85 50.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.44 ' CG1' ' HA ' ' A' ' 47' ' ' LEU . 6.0 mt -138.05 146.01 27.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.417 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 6.8 tp -103.34 115.35 30.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.467 HG23 ' CD ' ' A' ' 37' ' ' LYS . 35.5 mm -66.52 123.15 18.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.245 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.415 ' CD1' ' HA2' ' A' ' 45' ' ' GLY . 0.4 OUTLIER -108.2 -47.09 3.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.26 138.36 46.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.467 ' CD ' HG23 ' A' ' 34' ' ' ILE . 3.2 mtmp? -124.29 151.53 44.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 42.8 p-10 -141.24 169.04 18.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.1 t -79.79 -33.2 40.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 110.427 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.3 -44.47 11.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.015 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 126.27 -0.24 7.55 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.45 1.094 . . . . 0.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 80.7 m95 -96.32 128.77 43.54 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.523 ' CD2' ' HB1' ' A' ' 61' ' ' ALA . 36.5 m0 -112.8 142.07 45.86 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.514 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 54.6 tt0 -109.58 93.83 4.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.32 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.417 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -121.34 -175.76 15.16 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.568 1.167 . . . . 0.0 111.036 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 55' ' ' GLN . 0.8 OUTLIER -127.55 122.57 33.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 0.747 . . . . 0.0 110.259 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.455 ' CD2' ' HB2' ' A' ' 49' ' ' ALA . 0.4 OUTLIER -50.23 117.97 2.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 62.8 mm-40 -90.87 33.61 0.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.334 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.456 ' O ' ' CG ' ' A' ' 50' ' ' ARG . . . -133.48 60.0 1.72 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.252 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.456 ' CG ' ' O ' ' A' ' 49' ' ' ALA . 8.5 ptt180 43.71 -167.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 143.04 176.35 17.0 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.54 1.15 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.8 tttm -40.4 -56.5 2.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 0.768 . . . . 0.0 109.311 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.12 73.35 0.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 18.9 mmt85 39.88 91.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.313 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.5 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 2.0 mm-40 -49.21 153.17 1.03 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.3 123.66 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -175.45 -179.64 46.11 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.452 1.095 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.514 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 73.9 m95 -94.85 118.35 31.63 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.562 ' CD1' HD12 ' A' ' 26' ' ' LEU . 11.2 p90 -128.62 159.99 65.1 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.522 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.4 Cg_endo -74.97 130.92 13.75 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.503 1.791 . . . . 0.0 110.998 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.523 ' HB1' ' CD2' ' A' ' 43' ' ' TRP . . . -70.29 -18.87 63.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.5 m -67.3 -9.3 39.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.137 . . . . 0.0 110.001 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.522 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 8.2 m-70 -97.03 -18.31 19.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.619 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.1 m -121.69 175.79 4.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -137.38 135.84 37.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.7 mt -78.34 132.5 37.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.315 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.569 ' CD1' ' HA ' ' A' ' 10' ' ' ALA . 1.0 OUTLIER -88.13 11.5 16.09 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 171.56 68.47 0.04 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.535 1.147 . . . . 0.0 111.012 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 57.04 4.46 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.45 1.763 . . . . 0.0 110.972 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.05 73.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.97 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 37.0 m -103.19 88.73 3.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 110.012 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -169.85 -40.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.473 1.108 . . . . 0.0 110.309 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 40.1 mtt-85 -140.16 -45.46 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.305 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.93 -65.58 0.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.5 m 61.03 162.63 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.962 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -82.52 154.07 32.4 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.518 1.136 . . . . 0.0 110.959 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 162.11 37.55 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.501 1.79 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.27 92.39 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.036 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 12.2 p -82.67 133.23 35.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.006 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.541 1.151 . . . . 0.0 110.981 179.971 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -123.46 -53.53 1.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 0.763 . . . . 0.0 110.024 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 m -121.7 112.8 18.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.998 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 6' ' ' SER . . . -95.22 135.36 12.35 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.472 1.107 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 m 70.09 -65.17 0.33 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 0.785 . . . . 0.0 110.003 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 4' ' ' GLY . 5.2 t 76.43 165.94 0.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.96 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.71 169.36 35.22 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.476 1.11 . . . . 0.0 111.04 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -70.96 118.42 13.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 110.289 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.3 mm -102.2 142.02 17.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -127.87 134.57 49.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.255 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -96.46 114.96 26.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.513 ' CG1' ' O ' ' A' ' 27' ' ' ALA . 89.9 t -58.08 135.27 22.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 71.9 p -115.82 -26.34 7.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.386 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.417 ' HB2' ' ND1' ' A' ' 63' ' ' HIS . 1.8 m -133.42 138.17 46.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.113 . . . . 0.0 110.018 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.479 ' CB ' ' HD3' ' A' ' 28' ' ' PRO . . . -69.75 142.63 53.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.484 ' O ' ' N ' ' A' ' 26' ' ' LEU . 72.0 t80 -145.58 130.23 18.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.976 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -112.64 97.58 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.09 167.26 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.95 -43.35 1.98 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.974 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 23' ' ' GLN . . . -172.6 -139.33 2.81 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.478 1.112 . . . . 0.0 110.969 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 39.78 52.18 2.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 0.759 . . . . 0.0 110.031 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 43.11 38.5 1.54 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.34 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 20' ' ' GLY . 50.8 mt-30 -79.22 173.7 12.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 110.295 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 58' ' ' TRP . 16.5 tp -141.7 129.65 21.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 m -74.76 141.67 44.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.133 . . . . 0.0 110.0 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.572 HD13 ' CD1' ' A' ' 59' ' ' PHE . 22.1 mt -116.69 153.07 32.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.513 ' O ' ' CG1' ' A' ' 12' ' ' VAL . . . -138.91 143.73 38.48 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.479 ' HD3' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.06 112.41 3.55 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.446 1.761 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.71 17.47 7.99 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.463 1.102 . . . . 0.0 111.016 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -114.42 175.44 5.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 0.778 . . . . 0.0 110.291 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 80.1 mt -131.23 139.43 49.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.454 HD12 ' CD2' ' A' ' 26' ' ' LEU . 5.4 mt -131.32 152.64 37.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 tt -111.4 114.01 26.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.412 HG22 ' CE ' ' A' ' 37' ' ' LYS . 41.0 mm -64.14 126.85 23.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.2 mt -114.57 -49.25 2.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -134.0 159.12 41.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.359 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.412 ' CE ' HG22 ' A' ' 34' ' ' ILE . 39.7 mttt -131.52 143.42 50.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 109.365 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -105.14 -0.45 26.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 81.1 p 46.77 23.83 0.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.385 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.83 6.72 6.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.023 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 108.93 -18.15 31.73 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.473 1.108 . . . . 0.0 111.016 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 92.9 m95 -95.59 126.26 40.75 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 32.0 m0 -118.57 141.19 48.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 107.983 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.517 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 40.3 tt0 -108.54 101.44 10.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.328 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -133.88 -171.13 12.52 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.468 1.105 . . . . 0.0 111.032 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -125.17 131.24 53.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 0.731 . . . . 0.0 110.324 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.432 ' HA ' ' CG1' ' A' ' 32' ' ' ILE . 0.5 OUTLIER -62.98 113.07 2.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -90.73 33.9 0.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -124.27 140.87 52.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.36 150.41 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 164.4 -178.8 39.53 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.56 -69.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.82 -174.77 4.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.6 mmt-85 -67.33 88.61 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.316 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -54.71 117.63 3.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.267 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.23 128.2 33.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -178.69 -170.59 40.92 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.517 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 83.9 m95 -102.21 144.23 31.01 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.572 ' CD1' HD13 ' A' ' 26' ' ' LEU . 19.7 p90 -155.27 159.46 31.71 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 111.036 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 130.48 13.27 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 110.962 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.66 -15.18 62.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.82 -12.75 61.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.988 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.417 ' ND1' ' HB2' ' A' ' 14' ' ' SER . 6.1 m-70 -93.24 -16.8 24.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.621 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.1 m -121.0 173.23 6.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.3 ptmt -138.76 127.67 23.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.8 mt -59.62 133.88 56.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.8 mt -93.36 13.67 20.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 45.74 -156.33 0.43 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.517 1.136 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 150.02 37.76 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.485 1.782 . . . . 0.0 111.042 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.7 t -160.53 -58.89 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 110.023 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.8 m -71.86 167.06 20.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.999 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -87.85 119.25 28.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.5 ptt180 -118.69 168.29 10.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.259 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.2 97.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.6 p -67.61 139.85 56.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.975 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -92.97 169.56 31.06 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 159.84 40.83 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.507 1.793 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 25.5 p 177.82 152.13 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.944 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 10.9 p -125.75 161.03 28.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.988 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.454 1.096 . . . . 0.0 111.01 179.974 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 56.87 168.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 0.782 . . . . 0.0 109.976 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -94.36 161.39 14.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.02 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.71 104.67 1.01 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.523 1.14 . . . . 0.0 110.971 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.1 t -155.48 118.12 4.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 0.776 . . . . 0.0 109.996 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -153.8 138.03 16.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.0 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.13 143.19 8.56 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.55 1.156 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.37 138.28 55.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 0.743 . . . . 0.0 110.242 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.4 HG23 ' N ' ' A' ' 10' ' ' ALA . 17.0 mm -110.34 147.06 14.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.458 ' HB3' ' CG2' ' A' ' 64' ' ' VAL . . . -131.99 128.75 39.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.255 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -90.19 114.38 26.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.323 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.422 ' HB ' ' O ' ' A' ' 27' ' ' ALA . 90.3 t -54.55 137.65 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 65.2 p -114.62 -27.74 7.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.396 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.414 ' HB2' ' ND1' ' A' ' 63' ' ' HIS . 16.5 m -134.39 147.0 50.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.014 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.22 138.26 40.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.502 ' O ' ' N ' ' A' ' 26' ' ' LEU . 60.1 t80 -145.7 132.7 20.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 111.016 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.534 ' CG2' ' O ' ' A' ' 17' ' ' VAL . 0.1 OUTLIER -117.84 77.68 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.35 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 17' ' ' VAL . . . 38.56 -158.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.66 -34.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.043 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -105.8 -87.68 1.99 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.523 1.139 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.16 -75.38 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 0.789 . . . . 0.0 110.001 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.92 -13.62 17.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.284 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.432 ' HA ' ' O ' ' A' ' 58' ' ' TRP . 69.6 mt-30 -49.57 155.74 0.75 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.334 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.471 ' CD1' ' HB3' ' A' ' 55' ' ' GLN . 10.3 tp -120.31 129.01 53.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.17 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.402 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -68.82 124.58 24.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 110.015 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.541 HD11 ' CD1' ' A' ' 59' ' ' PHE . 21.4 mt -103.32 156.1 17.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.422 ' O ' ' HB ' ' A' ' 12' ' ' VAL . . . -143.07 139.72 17.08 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 111.38 3.31 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.513 1.796 . . . . 0.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 115.02 20.59 5.59 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.503 1.127 . . . . 0.0 110.963 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -120.8 -178.5 3.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 0.758 . . . . 0.0 110.319 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.8 mt -135.75 140.63 44.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.441 ' CG1' ' HA ' ' A' ' 47' ' ' LEU . 5.0 mt -132.83 152.58 36.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.426 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 5.3 tp -107.06 116.74 32.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.401 HG23 ' NZ ' ' A' ' 37' ' ' LYS . 42.9 mm -68.49 119.99 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.426 HD11 ' N ' ' A' ' 46' ' ' GLU . 0.6 OUTLIER -107.1 -39.0 5.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.262 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.51 155.03 42.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.419 ' HD3' ' CE2' ' A' ' 43' ' ' TRP . 25.2 mttm -128.48 166.23 19.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.423 ' ND2' ' HB2' ' A' ' 40' ' ' SER . 41.1 t30 -147.29 132.55 18.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 63.3 p -44.53 -46.33 9.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.366 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.423 ' HB2' ' ND2' ' A' ' 38' ' ' ASN . 0.4 OUTLIER -46.83 -32.62 3.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.163 . . . . 0.0 110.004 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 122.64 -16.53 8.4 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.558 1.161 . . . . 0.0 111.003 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -67.51 127.25 32.03 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.419 ' CE2' ' HD3' ' A' ' 37' ' ' LYS . 45.0 m0 -114.52 140.95 48.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 107.996 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.521 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 52.6 tt0 -109.77 94.22 4.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.426 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -123.31 -177.9 15.28 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.426 ' N ' HD11 ' A' ' 35' ' ' LEU . 1.4 tt0 -126.31 125.68 42.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 0.748 . . . . 0.0 110.291 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.474 ' CD2' ' HB2' ' A' ' 49' ' ' ALA . 0.6 OUTLIER -55.99 130.66 44.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -90.43 27.39 1.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.474 ' HB2' ' CD2' ' A' ' 47' ' ' LEU . . . -120.85 135.46 55.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.26 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.42 176.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.265 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 53' ' ' LYS . . . 136.46 71.29 0.06 OUTLIER Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.487 1.117 . . . . 0.0 111.047 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.409 ' N ' ' HE3' ' A' ' 52' ' ' LYS . 0.1 OUTLIER 61.73 -84.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 0.74 . . . . 0.0 109.283 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -122.43 130.41 53.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.416 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -42.27 121.97 2.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.26 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.471 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 1.7 mp0 -60.33 147.92 38.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.318 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.78 125.44 3.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -172.93 -175.74 41.0 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.471 1.107 . . . . 0.0 110.967 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.521 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 80.9 m95 -101.04 108.97 20.81 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.541 ' CD1' HD11 ' A' ' 26' ' ' LEU . 14.5 p90 -118.22 156.61 50.48 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 111.016 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 132.66 15.67 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.511 1.795 . . . . 0.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.3 -9.68 58.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.8 t -76.49 -15.86 59.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.026 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.417 ' ND1' ' HB2' ' A' ' 16' ' ' TYR . 3.6 m-70 -92.08 -8.81 44.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.58 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.458 ' CG2' ' HB3' ' A' ' 10' ' ' ALA . 2.4 m -132.66 176.02 10.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.09 127.86 21.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.7 mt -57.4 143.87 38.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.251 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 mt -100.92 13.79 33.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.363 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -122.12 96.6 0.58 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.469 1.106 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -43.01 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.472 1.775 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 88.2 p -173.54 113.5 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.024 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.38 118.95 19.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 110.001 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -156.95 82.23 0.94 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 110.255 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.22 136.07 57.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 110.348 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -120.5 115.28 23.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.325 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.5 t -75.97 113.93 14.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 110.012 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 141.1 -177.27 21.09 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 170.04 21.3 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.478 1.778 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.6 m -137.82 164.62 28.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.138 . . . . 0.0 110.039 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.93 131.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.026 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.933 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 -179.992 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 15.3 mm -93.81 149.25 4.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -134.67 139.3 45.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 109.276 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -101.13 119.95 39.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.634 HG11 ' C ' ' A' ' 27' ' ' ALA . 98.8 t -59.3 130.94 23.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.457 ' CG2' ' HB3' ' A' ' 65' ' ' LYS . 72.9 p -113.97 -16.95 12.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 110.384 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -148.29 129.98 15.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 109.94 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.652 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -62.11 146.7 49.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.414 ' HB2' ' ND1' ' A' ' 63' ' ' HIS . 45.6 t80 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 111.026 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.402 ' HA ' ' O ' ' A' ' 58' ' ' TRP . 44.9 mt-30 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.508 HD11 ' HB3' ' A' ' 55' ' ' GLN . 22.4 tp -122.14 130.01 52.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.167 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.1 p -74.62 137.55 42.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 110.004 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.722 HD11 ' HB2' ' A' ' 59' ' ' PHE . 13.6 mt -112.96 140.59 47.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.634 ' C ' HG11 ' A' ' 12' ' ' VAL . . . -126.83 142.43 43.43 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.652 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 17.9 Cg_endo -75.07 113.36 3.77 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.484 1.781 . . . . 0.0 110.974 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.24 20.47 7.06 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 0.0 110.962 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.547 ' OE1' ' HB3' ' A' ' 27' ' ' ALA . 46.7 mt-30 -119.69 179.93 4.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.771 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 66.4 mt -132.25 144.8 50.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 109.281 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.508 HG21 ' CE2' ' A' ' 59' ' ' PHE . 6.1 mt -137.85 145.79 28.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.348 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 tp -102.85 118.03 35.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.569 HG21 ' HE3' ' A' ' 37' ' ' LYS . 33.0 mm -70.66 123.5 24.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.1 -41.25 4.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.098 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.4 ttmt -140.18 147.53 40.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.098 . . . . 0.0 109.309 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.569 ' HE3' HG21 ' A' ' 34' ' ' ILE . 4.8 mttp -128.96 147.74 50.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.446 ' OD1' ' N ' ' A' ' 39' ' ' THR . 49.8 t-20 -115.46 156.69 25.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.446 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 23.0 p -78.78 1.37 23.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.408 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.24 -35.15 10.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.011 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 136.57 -23.58 3.25 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.547 1.154 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 87.9 m95 -67.21 124.9 24.4 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.473 ' CE2' ' HD3' ' A' ' 37' ' ' LYS . 43.9 m0 -115.07 141.44 48.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 108.007 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.526 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 51.1 tt0 -107.02 95.26 5.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.318 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -122.65 -179.94 15.99 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.488 1.118 . . . . 0.0 110.959 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 55' ' ' GLN . 4.2 tt0 -125.33 120.28 30.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 0.781 . . . . 0.0 110.282 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.5 HD21 ' CD ' ' A' ' 30' ' ' GLN . 0.3 OUTLIER -51.12 115.63 1.64 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 53.4 mm-40 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.262 -179.973 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.508 ' HB3' HD11 ' A' ' 24' ' ' LEU . 1.4 mp0 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.03 125.29 4.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -174.48 -170.69 37.97 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.523 1.139 . . . . 0.0 110.975 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.526 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 82.1 m95 -100.03 128.45 46.11 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.722 ' HB2' HD11 ' A' ' 26' ' ' LEU . 7.3 p90 -138.95 159.58 66.39 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 111.022 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.504 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.4 Cg_endo -74.98 131.28 14.13 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.479 1.779 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.42 ' HB2' ' CD2' ' A' ' 43' ' ' TRP . . . -72.08 -11.35 60.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.6 -12.01 60.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.001 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.504 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 9.9 m-70 -94.78 -19.26 20.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 109.626 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.9 m -116.93 174.2 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.457 ' HB3' ' CG2' ' A' ' 13' ' ' THR . 0.8 OUTLIER -141.51 125.38 17.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.473 ' HA ' HD23 ' A' ' 66' ' ' LEU . 8.5 mt -58.68 133.38 55.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.6 mt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.082 . . . . 0.0 109.292 179.998 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.3 mm -92.88 150.13 3.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -134.8 138.21 44.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.43 ' O ' HG23 ' A' ' 13' ' ' THR . 23.5 tt0 -99.86 113.92 26.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.604 HG11 ' C ' ' A' ' 27' ' ' ALA . 94.8 t -54.67 134.87 17.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.443 HG21 ' HB3' ' A' ' 65' ' ' LYS . 73.0 p -118.96 -7.79 10.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.449 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.0 129.28 6.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.978 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.644 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -62.35 147.44 48.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 37.9 t80 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 111.027 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.417 ' HA ' ' O ' ' A' ' 58' ' ' TRP . 8.1 mp0 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.596 HD11 ' HB3' ' A' ' 55' ' ' GLN . 20.5 tp -129.35 130.1 45.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.561 1.163 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.3 p -74.46 131.35 40.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.016 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.738 HD21 ' CG ' ' A' ' 59' ' ' PHE . 15.7 mt -103.76 142.0 35.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 0.0 109.267 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.604 ' C ' HG11 ' A' ' 12' ' ' VAL . . . -126.33 140.82 38.17 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.644 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.99 113.0 3.69 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.512 1.796 . . . . 0.0 111.02 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 108.84 25.39 5.68 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.488 1.118 . . . . 0.0 111.0 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.604 ' OE1' ' HB3' ' A' ' 27' ' ' ALA . 43.8 mt-30 -124.27 -178.14 4.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 0.758 . . . . 0.0 110.327 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 72.2 mt -135.87 142.8 44.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.498 HG21 ' CE2' ' A' ' 59' ' ' PHE . 6.1 mt -136.32 144.32 33.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.439 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 7.3 tp -98.21 116.61 30.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.122 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.593 HG21 ' HE3' ' A' ' 37' ' ' LYS . 31.8 mm -69.22 122.06 19.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.467 ' CD1' ' HA2' ' A' ' 45' ' ' GLY . 0.2 OUTLIER -109.04 -35.51 6.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -146.65 148.28 31.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.593 ' HE3' HG21 ' A' ' 34' ' ' ILE . 5.2 mttp -129.66 126.95 39.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -88.9 169.37 11.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.16 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.4 t -96.16 13.91 25.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.407 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.78 -34.16 6.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.997 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 138.21 -11.91 3.56 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.532 1.145 . . . . 0.0 111.037 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -81.34 126.81 32.04 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.495 ' CE2' ' HD3' ' A' ' 37' ' ' LYS . 40.1 m0 -114.92 144.17 43.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 107.998 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.515 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 5.6 tt0 -110.4 99.22 8.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.467 ' HA2' ' CD1' ' A' ' 35' ' ' LEU . . . -130.11 179.65 16.69 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.457 1.098 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.455 ' CG ' ' O ' ' A' ' 55' ' ' GLN . 8.1 tt0 -121.86 131.23 53.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 0.755 . . . . 0.0 110.26 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.482 HD21 ' CD ' ' A' ' 30' ' ' GLN . 0.2 OUTLIER -63.62 121.8 14.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 63.6 mm-40 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 179.967 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.596 ' HB3' HD11 ' A' ' 24' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.11 129.86 6.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.427 ' CA ' ' HB2' ' A' ' 24' ' ' LEU . . . 179.14 -163.7 31.42 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.451 1.094 . . . . 0.0 111.001 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.515 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 83.9 m95 -101.83 143.09 32.16 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.738 ' CG ' HD21 ' A' ' 26' ' ' LEU . 5.7 p90 -155.25 158.56 32.01 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.517 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.3 Cg_endo -75.0 132.14 15.08 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.472 1.775 . . . . 0.0 111.02 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.404 ' HB2' ' CD2' ' A' ' 43' ' ' TRP . . . -71.35 -15.88 62.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.86 -9.1 56.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.014 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.517 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 9.6 m-70 -98.22 -15.04 20.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.572 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.0 m -125.85 173.88 10.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.443 ' HB3' HG21 ' A' ' 13' ' ' THR . 0.0 OUTLIER -139.12 127.9 23.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.333 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.511 ' HA ' HD23 ' A' ' 66' ' ' LEU . 8.7 mt -60.98 134.12 56.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.0 mt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.996 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 14.6 mm -96.13 149.31 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -134.7 140.17 45.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.167 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -104.13 120.7 41.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.565 HG11 ' C ' ' A' ' 27' ' ' ALA . 90.6 t -64.18 129.89 28.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.8 p -115.32 -17.2 11.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.391 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -143.04 129.17 19.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 110.054 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.646 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -63.17 145.82 54.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 61.6 t80 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.98 -179.977 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.411 ' HA ' ' O ' ' A' ' 58' ' ' TRP . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.551 HD11 ' HB3' ' A' ' 55' ' ' GLN . 23.9 tp -120.75 130.37 54.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 29.3 m -74.66 131.78 41.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 110.044 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.777 HD11 ' HB2' ' A' ' 59' ' ' PHE . 9.2 mt -107.57 143.83 35.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.565 ' C ' HG11 ' A' ' 12' ' ' VAL . . . -128.59 143.81 49.8 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.646 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.01 113.54 3.82 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.516 1.798 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 108.21 24.3 6.31 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.499 1.124 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.521 ' OE1' ' HB3' ' A' ' 27' ' ' ALA . 36.4 mt-30 -121.29 172.92 7.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.577 0.81 . . . . 0.0 110.271 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 72.6 mt -126.13 139.22 53.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.6 mt -132.62 151.08 33.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.482 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 0.1 OUTLIER -106.89 115.55 30.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 43.3 mm -68.46 121.45 17.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.575 1.172 . . . . 0.0 109.34 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.561 HD11 ' HB2' ' A' ' 46' ' ' GLU . 1.3 mt -110.69 -41.75 4.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.84 155.95 47.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -132.01 164.46 26.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.321 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -140.26 150.39 44.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.5 p -60.54 -40.18 90.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.425 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.9 t -55.62 -46.61 77.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.014 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 140.93 -15.88 2.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -66.7 125.11 24.78 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 44.7 m0 -114.76 141.86 47.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 107.985 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.526 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 46.8 tt0 -109.78 97.3 6.86 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.482 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -125.58 -173.33 13.62 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.534 1.146 . . . . 0.0 110.956 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.561 ' HB2' HD11 ' A' ' 35' ' ' LEU . 14.6 tt0 -124.8 130.76 53.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 0.74 . . . . 0.0 110.282 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.98 115.34 4.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.308 -179.997 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.551 ' HB3' HD11 ' A' ' 24' ' ' LEU . 2.6 mp0 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.07 129.25 11.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 109.274 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 178.67 -177.53 48.47 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.481 1.113 . . . . 0.0 111.047 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.526 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 75.6 m95 -94.02 143.98 25.87 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.777 ' HB2' HD11 ' A' ' 26' ' ' LEU . 6.1 p90 -155.02 160.1 31.21 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 111.027 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.507 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.2 Cg_endo -74.99 131.41 14.26 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.501 1.79 . . . . 0.0 110.963 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.49 -17.42 61.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.3 t -67.1 -11.17 56.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.02 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.507 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 10.5 m-70 -94.13 -23.56 17.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.591 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.54 HG12 HG22 ' A' ' 12' ' ' VAL . 2.5 m -115.65 174.29 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.9 ptmt -138.13 129.06 27.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.451 ' HA ' HD23 ' A' ' 66' ' ' LEU . 9.0 mt -62.49 132.78 53.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.3 mt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 -179.979 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.5 mm -91.64 150.76 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -133.62 141.57 47.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -100.9 118.71 37.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.582 HG11 ' C ' ' A' ' 27' ' ' ALA . 85.1 t -62.9 129.91 26.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 69.5 p -112.57 -23.14 10.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.408 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -139.21 132.81 30.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.991 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.651 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -64.13 143.3 57.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 63.9 t80 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.955 -179.94 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.559 ' N ' HE21 ' A' ' 23' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.466 HD11 ' HB3' ' A' ' 55' ' ' GLN . 19.1 tp -122.09 129.78 52.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.351 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 53.1 p -75.2 129.73 37.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.985 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.848 HD11 ' HB2' ' A' ' 59' ' ' PHE . 6.1 mt -106.82 151.93 24.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.582 ' C ' HG11 ' A' ' 12' ' ' VAL . . . -135.52 144.05 47.69 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.651 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.99 112.61 3.6 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.521 1.801 . . . . 0.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.31 20.39 7.47 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.44 ' OE1' HD21 ' A' ' 47' ' ' LEU . 31.4 mt-30 -118.25 175.43 5.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 0.758 . . . . 0.0 110.287 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 48' ' ' GLN . 73.6 mt -126.99 144.22 51.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.492 HG21 ' CE2' ' A' ' 59' ' ' PHE . 5.9 mt -137.62 143.8 32.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.531 HD23 ' N ' ' A' ' 34' ' ' ILE . 3.1 tt -101.38 114.7 28.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.531 ' N ' HD23 ' A' ' 33' ' ' LEU . 44.3 mm -66.9 125.68 24.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.542 HD11 ' HB2' ' A' ' 46' ' ' GLU . 2.3 mt -114.4 -35.92 4.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -147.37 146.89 29.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.349 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -127.63 128.82 46.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 37.7 t-20 -87.93 170.13 11.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.0 t -94.78 13.6 24.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.373 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.58 -34.55 5.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.008 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 142.2 -22.04 2.43 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.52 1.137 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -69.31 127.47 33.17 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.551 ' CD2' ' HB2' ' A' ' 61' ' ' ALA . 44.7 m0 -115.18 140.36 49.15 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.525 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 43.6 tt0 -108.15 98.18 7.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.346 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.426 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -130.3 -170.18 12.65 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.479 1.112 . . . . 0.0 110.976 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.542 ' HB2' HD11 ' A' ' 35' ' ' LEU . 12.0 tt0 -125.87 134.87 51.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 0.769 . . . . 0.0 110.262 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.44 HD21 ' OE1' ' A' ' 30' ' ' GLN . 0.3 OUTLIER -64.73 111.03 2.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 31' ' ' LEU . 97.6 mm-40 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.466 ' HB3' HD11 ' A' ' 24' ' ' LEU . 1.2 mp0 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.9 127.34 14.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -177.02 -170.38 39.41 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.501 1.126 . . . . 0.0 110.981 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.525 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 85.1 m95 -101.43 143.12 31.84 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.848 ' HB2' HD11 ' A' ' 26' ' ' LEU . 8.6 p90 -155.11 159.03 32.14 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.475 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.2 Cg_endo -75.02 131.18 13.97 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.501 1.79 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.551 ' HB2' ' CD2' ' A' ' 43' ' ' TRP . . . -71.48 -17.74 62.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 54.4 m -67.5 -10.77 54.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.968 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.475 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 7.8 m-70 -95.38 -18.06 21.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.6 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.519 HG12 HG22 ' A' ' 12' ' ' VAL . 2.8 m -122.64 175.82 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.12 128.18 23.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.105 . . . . 0.0 109.292 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.524 HD23 ' HA ' ' A' ' 66' ' ' LEU . 8.5 mt -62.45 135.61 57.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.6 mt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 22.8 mm -98.43 147.46 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -134.15 136.64 43.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -99.98 121.96 42.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.338 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.575 HG11 ' C ' ' A' ' 27' ' ' ALA . 89.4 t -64.44 130.82 29.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.409 HG21 ' HB3' ' A' ' 65' ' ' LYS . 11.7 p -115.04 -18.14 11.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.423 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.89 132.08 23.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.995 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.661 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -65.44 144.68 56.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 38.5 t80 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.994 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.659 ' N ' HE21 ' A' ' 23' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.55 HD11 ' HB3' ' A' ' 55' ' ' GLN . 20.3 tp -123.53 129.42 51.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.0 m -73.8 135.17 43.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.986 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.785 HD11 ' HB2' ' A' ' 59' ' ' PHE . 12.9 mt -110.73 143.44 41.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.575 ' C ' HG11 ' A' ' 12' ' ' VAL . . . -127.35 143.1 46.01 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.661 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.96 112.05 3.47 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.49 1.784 . . . . 0.0 111.011 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 109.29 26.55 5.12 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.452 1.095 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.509 ' OE1' ' HB3' ' A' ' 27' ' ' ALA . 33.5 mt-30 -124.25 175.54 6.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 0.754 . . . . 0.0 110.338 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 72.3 mt -127.43 147.23 50.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.336 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.435 ' CG1' ' HA ' ' A' ' 47' ' ' LEU . 5.2 mt -139.8 153.34 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.16 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.447 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 0.4 OUTLIER -108.93 115.39 29.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 41.8 mm -68.62 116.88 9.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.562 HD11 ' HB2' ' A' ' 46' ' ' GLU . 2.1 mt -105.02 -45.0 4.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -135.07 160.34 38.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.2 mttp -130.33 168.78 16.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -140.22 159.61 41.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.4 p -90.83 53.22 2.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 110.386 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.98 -41.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.012 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 145.91 -17.41 1.77 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.492 1.12 . . . . 0.0 110.96 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -73.85 115.81 13.73 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 38.6 m0 -112.17 144.6 41.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 108.0 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.526 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 44.2 tt0 -110.55 97.9 7.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.447 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -129.45 -172.97 13.27 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.119 . . . . 0.0 111.039 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.562 ' HB2' HD11 ' A' ' 35' ' ' LEU . 17.3 tt0 -123.55 135.52 54.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.435 ' HA ' ' CG1' ' A' ' 32' ' ' ILE . 0.3 OUTLIER -68.08 112.58 5.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.327 179.964 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.55 ' HB3' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.94 126.7 8.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.404 ' CA ' ' HB2' ' A' ' 24' ' ' LEU . . . -178.97 -169.63 39.83 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.513 1.133 . . . . 0.0 110.955 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.526 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 86.9 m95 -98.62 144.13 28.25 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.785 ' HB2' HD11 ' A' ' 26' ' ' LEU . 5.8 p90 -155.39 157.0 31.56 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.954 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.475 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.4 Cg_endo -74.94 132.63 15.73 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.433 1.754 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.76 -18.02 62.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 72.5 m -67.54 -11.36 57.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.991 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.475 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 8.1 m-70 -95.62 -18.05 20.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.606 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.41 HG12 HG22 ' A' ' 12' ' ' VAL . 2.0 m -121.1 174.84 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.409 ' HB3' HG21 ' A' ' 13' ' ' THR . 0.5 OUTLIER -138.32 126.59 23.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.527 ' HA ' HD23 ' A' ' 66' ' ' LEU . 8.9 mt -63.56 133.31 53.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 20.0 mt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.313 -179.987 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.5 mp0 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.6 mm -105.98 144.46 15.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.45 ' HB1' ' CG2' ' A' ' 64' ' ' VAL . . . -131.66 135.59 47.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -100.41 122.19 42.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.608 HG11 ' C ' ' A' ' 27' ' ' ALA . 90.1 t -62.0 132.81 27.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 75.9 p -115.61 -27.07 7.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.431 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.25 131.1 39.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 110.048 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.642 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -65.52 143.28 57.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 15.4 t80 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 -179.968 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.44 ' HA ' ' O ' ' A' ' 58' ' ' TRP . 8.7 mt-30 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.615 HD11 ' HB3' ' A' ' 55' ' ' GLN . 21.3 tp -126.06 129.84 49.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.335 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.7 m -70.0 153.46 43.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.118 . . . . 0.0 109.983 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.626 HD11 ' HB2' ' A' ' 59' ' ' PHE . 18.2 mt -127.67 140.66 51.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.608 ' C ' HG11 ' A' ' 12' ' ' VAL . . . -127.58 142.41 44.03 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.642 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.94 111.99 3.45 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.46 1.769 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.86 24.21 5.6 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.133 . . . . 0.0 110.969 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.422 ' OE1' ' HB3' ' A' ' 27' ' ' ALA . 27.5 mt-30 -122.68 174.99 6.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.327 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 74.5 mt -127.49 146.32 50.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.537 HG21 ' CE2' ' A' ' 59' ' ' PHE . 5.8 mt -138.54 152.01 24.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.47 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 0.8 OUTLIER -107.16 117.35 33.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.35 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.518 HG21 ' HE2' ' A' ' 37' ' ' LYS . 39.9 mm -71.51 111.63 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.65 HD11 ' HB2' ' A' ' 46' ' ' GLU . 2.1 mt -99.39 -48.2 4.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.151 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.05 159.82 40.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.518 ' HE2' HG21 ' A' ' 34' ' ' ILE . 25.1 mttt -129.91 169.29 15.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 39' ' ' THR . 36.6 t30 -138.45 162.29 34.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.451 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 13.4 p -91.38 52.49 2.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 110.422 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.9 -41.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.02 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 145.16 -17.58 1.92 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.529 1.143 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -73.35 110.15 7.41 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 41.0 m0 -105.57 140.83 38.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 107.974 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.537 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 51.3 tt0 -105.35 94.29 5.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.47 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -124.76 -174.91 14.13 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.539 1.149 . . . . 0.0 111.023 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.65 ' HB2' HD11 ' A' ' 35' ' ' LEU . 15.8 tt0 -125.23 129.95 51.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 0.76 . . . . 0.0 110.31 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.31 113.74 2.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.357 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.334 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.615 ' HB3' HD11 ' A' ' 24' ' ' LEU . 3.1 mp0 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.7 129.65 12.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 109.245 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.414 ' CA ' ' HB2' ' A' ' 24' ' ' LEU . . . 179.47 -173.88 45.72 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.122 . . . . 0.0 110.999 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.537 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 86.4 m95 -97.69 119.12 35.7 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.626 ' HB2' HD11 ' A' ' 26' ' ' LEU . 7.7 p90 -128.03 155.94 77.03 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.458 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.3 Cg_endo -75.0 132.24 15.19 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.491 1.785 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 64' ' ' VAL . . . -72.4 -21.86 61.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.88 -12.98 28.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.023 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.458 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 8.9 m-70 -93.54 -22.99 18.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.587 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.46 HG12 HG22 ' A' ' 12' ' ' VAL . 1.6 m -115.06 176.0 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.3 pttt -138.88 129.69 26.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.4 mt -59.8 140.96 56.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 mt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.584 HD13 ' O ' ' A' ' 32' ' ' ILE . 8.6 mm -92.84 143.44 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -124.69 136.25 53.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.416 ' HB3' HD21 ' A' ' 67' ' ' LEU . 21.7 tt0 -96.49 110.82 23.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.595 HG11 ' C ' ' A' ' 27' ' ' ALA . 97.0 t -56.55 134.69 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 73.8 p -115.23 -25.64 7.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.353 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.412 ' HB2' ' ND1' ' A' ' 63' ' ' HIS . 3.0 m -133.88 140.96 47.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.978 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.589 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -71.49 141.22 50.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.473 ' O ' ' N ' ' A' ' 26' ' ' LEU . 63.4 t80 . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 110.966 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.41 ' HA ' ' O ' ' A' ' 58' ' ' TRP . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.541 HD11 ' HB3' ' A' ' 55' ' ' GLN . 32.3 tp -125.68 132.29 52.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.7 p -76.43 143.96 40.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.976 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.605 HD11 ' HB2' ' A' ' 59' ' ' PHE . 12.9 mt -118.91 148.29 43.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.595 ' C ' HG11 ' A' ' 12' ' ' VAL . . . -132.58 143.04 47.09 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.589 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.06 114.47 4.03 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.476 1.777 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.41 18.47 8.57 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.451 1.095 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.548 ' OE1' ' HB3' ' A' ' 27' ' ' ALA . 37.7 mt-30 -115.49 -179.88 3.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 0.765 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.1 mt -135.7 134.85 39.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.295 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.584 ' O ' HD13 ' A' ' 9' ' ' ILE . 5.9 mt -128.1 152.11 35.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.667 HD23 HD21 ' A' ' 35' ' ' LEU . 6.9 tp -105.97 118.58 36.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 47.3 mm -71.62 116.98 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.667 HD21 HD23 ' A' ' 33' ' ' LEU . 3.8 mt -106.18 -53.19 2.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -125.37 146.51 49.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.9 mttp -123.07 167.65 13.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 109.342 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -136.24 164.79 27.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.9 t -94.06 19.44 9.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 110.388 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.9 m -117.72 -39.24 3.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 110.025 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 141.65 -14.95 2.68 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.443 1.089 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 89.4 m95 -76.96 125.96 30.18 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.975 -1.121 . . . . 0.0 107.975 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 40.4 m0 -117.16 142.99 46.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 108.007 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.525 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 47.7 tt0 -110.55 96.75 6.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.345 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.446 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -125.39 -177.21 14.81 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.124 . . . . 0.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.497 ' CG ' ' O ' ' A' ' 55' ' ' GLN . 4.0 tt0 -124.91 127.99 47.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 0.759 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.2 126.77 28.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.31 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.541 ' HB3' HD11 ' A' ' 24' ' ' LEU . 1.4 mp0 . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.04 124.1 4.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -174.4 -166.47 32.46 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.525 1.141 . . . . 0.0 110.969 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.525 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 85.1 m95 -103.46 142.06 34.9 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.605 ' HB2' HD11 ' A' ' 26' ' ' LEU . 7.2 p90 -154.96 159.86 31.44 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 111.007 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 131.02 13.87 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.53 1.805 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.38 -17.43 62.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.9 m -67.16 -12.87 61.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 110.018 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.412 ' ND1' ' HB2' ' A' ' 14' ' ' SER . 4.6 m-70 -93.19 -12.07 31.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.572 1.17 . . . . 0.0 109.629 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.464 HG12 HG22 ' A' ' 12' ' ' VAL . 2.4 m -127.27 175.3 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.99 125.16 18.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.523 HD23 ' HA ' ' A' ' 66' ' ' LEU . 8.9 mt -60.05 133.3 55.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.416 HD21 ' HB3' ' A' ' 11' ' ' GLN . 8.5 mt . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.616 HD13 ' O ' ' A' ' 32' ' ' ILE . 11.0 mm -97.38 140.85 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -125.07 137.49 54.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -98.08 111.36 23.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.613 HG11 ' C ' ' A' ' 27' ' ' ALA . 86.6 t -55.54 134.53 19.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.8 p -114.86 -27.0 7.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.41 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.418 ' HB2' ' ND1' ' A' ' 63' ' ' HIS . 2.3 m -133.69 138.43 45.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 110.004 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.641 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -70.13 142.8 52.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.422 ' O ' ' N ' ' A' ' 26' ' ' LEU . 66.5 t80 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.113 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.402 ' HA ' ' O ' ' A' ' 58' ' ' TRP . 1.3 mt-30 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.299 -0.259 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.44 HD11 ' HB3' ' A' ' 55' ' ' GLN . 25.7 tp -119.54 132.57 55.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.3 p -76.56 147.61 37.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.065 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.769 HD11 ' CD1' ' A' ' 59' ' ' PHE . 41.0 mt -118.51 156.84 28.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.613 ' C ' HG11 ' A' ' 12' ' ' VAL . . . -140.05 141.14 25.83 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.641 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.97 113.09 3.71 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.529 1.805 . . . . 0.0 111.019 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.8 22.69 6.2 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.467 1.105 . . . . 0.0 110.957 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -119.62 -179.96 4.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 0.741 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.2 mt -135.7 135.74 40.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.616 ' O ' HD13 ' A' ' 9' ' ' ILE . 5.7 mt -128.75 154.85 40.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.127 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.451 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 9.0 tp -109.03 115.85 30.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 41.6 mm -69.99 112.15 4.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.439 HD21 HD23 ' A' ' 33' ' ' LEU . 2.9 mt -99.04 -47.3 5.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.41 150.57 52.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.6 mttp -126.64 168.74 13.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -138.01 171.39 14.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 109.266 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.1 t -99.93 21.79 12.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.407 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.42 -39.94 2.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.987 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 141.53 -15.37 2.7 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.445 1.09 . . . . 0.0 110.952 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 83.7 m95 -77.94 126.31 30.64 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 40.0 m0 -116.81 141.63 47.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.168 . . . . 0.0 108.025 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.533 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 48.9 tt0 -108.53 96.07 6.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.451 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -126.22 -177.04 14.71 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.469 ' CG ' ' O ' ' A' ' 55' ' ' GLN . 2.8 tt0 -124.59 131.04 53.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 0.739 . . . . 0.0 110.34 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.409 ' CB ' ' HB2' ' A' ' 55' ' ' GLN . 0.9 OUTLIER -60.61 126.9 29.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.1 mm-40 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.299 -179.97 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.469 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 3.1 mp0 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.55 124.56 0.82 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -174.62 -168.08 34.87 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.519 1.137 . . . . 0.0 111.032 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.533 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 81.5 m95 -104.85 119.24 38.52 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.769 ' CD1' HD11 ' A' ' 26' ' ' LEU . 16.3 p90 -131.16 161.57 60.94 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.413 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.3 Cg_endo -75.0 129.2 12.12 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.54 1.811 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.91 -19.41 62.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.6 m -65.37 -10.64 34.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.993 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.418 ' ND1' ' HB2' ' A' ' 14' ' ' SER . 10.8 m-70 -97.02 -1.91 44.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.595 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.531 HG12 HG22 ' A' ' 12' ' ' VAL . 2.5 m -137.81 176.21 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.16 129.41 22.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.475 ' HA ' HD23 ' A' ' 66' ' ' LEU . 8.9 mt -61.45 135.3 57.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.982 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.493 HD13 ' O ' ' A' ' 32' ' ' ILE . 11.0 mm -88.85 141.61 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -127.83 129.89 47.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -94.65 121.19 35.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.664 HG11 ' C ' ' A' ' 27' ' ' ALA . 97.6 t -59.07 134.04 24.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.701 HG21 ' HB3' ' A' ' 65' ' ' LYS . 69.1 p -114.99 -11.16 12.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.423 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 m -157.92 136.85 11.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.038 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.681 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -64.91 148.69 50.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 40.6 t80 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 111.006 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.844 ' N ' HE21 ' A' ' 23' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.588 HD11 ' HB3' ' A' ' 55' ' ' GLN . 23.4 tp -123.65 130.97 53.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 55.1 p -75.94 129.26 36.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 109.988 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.708 HD21 ' CG ' ' A' ' 59' ' ' PHE . 12.4 mt -101.43 160.5 14.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.664 ' C ' HG11 ' A' ' 12' ' ' VAL . . . -146.18 143.04 18.36 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.681 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.99 112.47 3.57 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.492 1.785 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 107.36 27.28 5.34 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.649 ' OE1' ' HB3' ' A' ' 27' ' ' ALA . 46.3 mt-30 -127.33 162.49 26.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 110.312 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 53.1 mt -113.79 147.37 38.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.327 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.493 ' O ' HD13 ' A' ' 9' ' ' ILE . 6.1 mt -140.34 152.73 21.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.507 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 0.1 OUTLIER -108.89 114.04 27.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.589 HG21 ' HE3' ' A' ' 37' ' ' LYS . 46.0 mm -65.65 125.97 23.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.549 HD12 ' HA2' ' A' ' 45' ' ' GLY . 1.8 mt -117.61 -50.52 2.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.463 ' HB3' ' CZ2' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -125.49 145.74 49.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.589 ' HE3' HG21 ' A' ' 34' ' ' ILE . 4.6 mttp -132.35 151.89 51.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.435 ' OD1' ' N ' ' A' ' 39' ' ' THR . 37.5 t30 -124.89 165.42 18.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.435 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 20.2 p -87.99 51.31 2.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.402 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.422 ' HB2' ' ND2' ' A' ' 38' ' ' ASN . 0.5 OUTLIER -153.61 -41.53 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.979 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 144.43 -16.57 2.06 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.401 ' HA ' ' O ' ' A' ' 59' ' ' PHE . 94.5 m95 -70.45 112.0 6.41 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.408 ' O ' ' N ' ' A' ' 59' ' ' PHE . 46.5 m0 -115.04 142.48 46.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 107.958 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.613 ' HB2' ' CD2' ' A' ' 58' ' ' TRP . 3.1 tt0 -112.11 106.34 14.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.549 ' HA2' HD12 ' A' ' 35' ' ' LEU . . . -132.49 -177.12 14.72 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.498 1.124 . . . . 0.0 111.031 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.431 ' CG ' ' O ' ' A' ' 55' ' ' GLN . 10.4 tt0 -118.09 126.64 52.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 0.741 . . . . 0.0 110.289 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.427 ' HB2' ' CB ' ' A' ' 55' ' ' GLN . 0.4 OUTLIER -59.78 111.7 1.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.087 . . . . 0.0 110.3 -179.965 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.588 ' HB3' HD11 ' A' ' 24' ' ' LEU . 6.1 mp0 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -163.02 126.86 2.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.435 ' CA ' ' HB2' ' A' ' 24' ' ' LEU . . . 175.43 174.53 42.1 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.613 ' CD2' ' HB2' ' A' ' 44' ' ' GLN . 64.1 m95 -80.82 145.34 31.46 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.708 ' CG ' HD21 ' A' ' 26' ' ' LEU . 8.5 p90 -154.96 161.5 29.3 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 111.029 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.502 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.4 Cg_endo -74.95 129.72 12.65 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.529 1.805 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.465 ' HA ' HG22 ' A' ' 64' ' ' VAL . . . -70.57 -26.81 63.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 74.1 m -56.68 -18.38 12.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.001 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.502 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 50.1 m-70 -93.85 -2.37 53.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.605 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.465 HG22 ' HA ' ' A' ' 61' ' ' ALA . 1.3 m -132.92 175.05 12.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.701 ' HB3' HG21 ' A' ' 13' ' ' THR . 0.1 OUTLIER -142.53 122.93 13.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.153 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 66' ' ' LEU . 8.9 mt -59.14 132.47 54.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.42 HD12 HG22 ' A' ' 9' ' ' ILE . 28.9 mt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.469 HD13 ' O ' ' A' ' 32' ' ' ILE . 5.7 mm -105.85 145.64 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -132.83 133.93 43.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.427 ' CB ' HD21 ' A' ' 67' ' ' LEU . 21.1 tt0 -94.53 115.78 28.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.692 HG11 ' C ' ' A' ' 27' ' ' ALA . 86.5 t -54.55 133.83 17.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.47 ' CG2' ' HB3' ' A' ' 65' ' ' LYS . 53.9 p -114.33 -21.23 10.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.383 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.419 ' HB2' ' ND1' ' A' ' 63' ' ' HIS . 1.7 m -143.5 137.77 28.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 110.015 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.571 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -66.89 138.76 57.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.467 ' O ' ' N ' ' A' ' 26' ' ' LEU . 68.7 t80 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 111.032 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.414 ' HA ' ' O ' ' A' ' 58' ' ' TRP . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.586 HD11 ' HB3' ' A' ' 55' ' ' GLN . 24.1 tp -123.18 133.19 54.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.3 m -78.44 141.4 38.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.949 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.622 HD22 HD13 ' A' ' 32' ' ' ILE . 15.3 mt -114.68 146.49 40.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.692 ' C ' HG11 ' A' ' 12' ' ' VAL . . . -130.78 143.05 47.77 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.339 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.571 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -75.03 114.09 3.94 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.487 1.783 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.92 15.68 10.61 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.482 1.114 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.437 ' OE1' HD21 ' A' ' 47' ' ' LEU . 42.3 mt-30 -116.8 173.88 6.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 0.77 . . . . 0.0 110.276 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 44.0 mt -127.68 143.67 51.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.085 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.622 HD13 HD22 ' A' ' 26' ' ' LEU . 5.5 mt -134.58 143.65 37.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.251 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.451 HD23 ' C ' ' A' ' 33' ' ' LEU . 3.8 tt -101.16 113.8 27.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.992 HG21 ' HE3' ' A' ' 37' ' ' LYS . 39.0 mm -65.98 125.33 22.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.35 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.57 HD11 ' HB2' ' A' ' 46' ' ' GLU . 7.7 mt -112.14 -32.81 6.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.06 144.79 31.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.992 ' HE3' HG21 ' A' ' 34' ' ' ILE . 70.2 mttt -132.19 146.75 52.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.402 ' OD1' ' C ' ' A' ' 38' ' ' ASN . 37.4 p-10 -138.7 168.85 18.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.2 t -80.61 -32.87 36.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.412 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.39 -41.96 9.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.145 . . . . 0.0 110.016 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 124.14 -0.26 8.95 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 75.4 m95 -97.02 132.8 42.47 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.568 ' CD1' ' HG2' ' A' ' 37' ' ' LYS . 35.1 m0 -116.99 142.3 47.13 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.516 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 36.8 tt0 -113.39 101.46 9.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.421 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -131.09 -163.67 11.0 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.459 1.1 . . . . 0.0 110.98 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.57 ' HB2' HD11 ' A' ' 35' ' ' LEU . 0.7 OUTLIER -131.88 130.54 41.78 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.49 0.759 . . . . 0.0 110.281 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.437 HD21 ' OE1' ' A' ' 30' ' ' GLN . 0.3 OUTLIER -60.95 111.62 1.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.332 179.967 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.586 ' HB3' HD11 ' A' ' 24' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.33 132.78 39.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 175.44 -173.22 46.11 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.516 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 74.2 m95 -99.58 145.53 27.43 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.584 ' CD1' HD11 ' A' ' 26' ' ' LEU . 6.3 p90 -155.23 159.85 31.39 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 111.03 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 131.18 14.01 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.519 1.8 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.49 -14.15 61.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.5 t -71.57 -9.22 57.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.007 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.419 ' ND1' ' HB2' ' A' ' 14' ' ' SER . 6.5 m-70 -97.34 -16.97 20.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.576 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.516 ' CG1' HD13 ' A' ' 26' ' ' LEU . 2.4 m -120.13 173.17 6.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.47 ' HB3' ' CG2' ' A' ' 13' ' ' THR . 4.6 ttpt -139.48 125.71 20.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.499 ' HA ' HD23 ' A' ' 66' ' ' LEU . 8.7 mt -58.49 134.21 56.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.427 HD21 ' CB ' ' A' ' 11' ' ' GLN . 8.9 mt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.453 HD13 ' HA ' ' A' ' 9' ' ' ILE . 17.3 mm -98.99 141.46 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -128.58 135.52 49.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.273 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -98.11 118.32 34.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.312 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.58 HG11 ' C ' ' A' ' 27' ' ' ALA . 78.9 t -60.94 131.98 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 79.9 p -114.78 -21.77 10.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.4 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -140.0 128.85 23.31 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.132 . . . . 0.0 110.005 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.677 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -62.6 147.29 49.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 28.7 t80 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.993 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.405 ' HA ' ' O ' ' A' ' 58' ' ' TRP . 2.5 mp0 . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.735 HD11 ' HB3' ' A' ' 55' ' ' GLN . 33.8 tp -119.0 129.81 55.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.3 p -71.91 134.48 46.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.994 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.729 HD11 ' HB2' ' A' ' 59' ' ' PHE . 11.2 mt -108.73 144.58 36.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.58 ' C ' HG11 ' A' ' 12' ' ' VAL . . . -130.63 142.8 46.83 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.677 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.0 111.81 3.41 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.454 1.765 . . . . 0.0 110.97 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.36 20.26 6.71 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.523 1.139 . . . . 0.0 111.023 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.507 ' OE1' ' HB3' ' A' ' 27' ' ' ALA . 37.4 mt-30 -117.65 -178.36 3.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 0.777 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 70.7 mt -134.49 145.99 49.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.506 HG21 ' CE2' ' A' ' 59' ' ' PHE . 5.7 mt -140.32 145.52 25.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.108 . . . . 0.0 109.346 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.441 HD23 ' N ' ' A' ' 34' ' ' ILE . 0.6 OUTLIER -101.33 112.96 25.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.543 HG21 ' CE ' ' A' ' 37' ' ' LYS . 48.5 mm -65.21 123.24 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.4 HD11 ' HB2' ' A' ' 46' ' ' GLU . 9.1 mt -109.35 -56.72 2.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.96 143.83 50.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.543 ' CE ' HG21 ' A' ' 34' ' ' ILE . 8.0 mttt -125.28 170.07 11.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.598 HD21 ' N ' ' A' ' 42' ' ' TRP . 0.5 OUTLIER -146.37 -173.08 4.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.7 p -112.51 36.68 3.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.402 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.493 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 0.2 OUTLIER -131.05 -40.96 1.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.027 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.44 ' O ' ' HA ' ' A' ' 60' ' ' PRO . . . 134.49 -8.14 4.64 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.486 1.116 . . . . 0.0 110.966 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.598 ' N ' HD21 ' A' ' 38' ' ' ASN . 93.3 m95 -85.67 96.71 9.78 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.552 ' CD2' ' HB2' ' A' ' 61' ' ' ALA . 38.1 m0 -92.53 140.47 29.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 108.003 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.52 ' HB2' ' CD2' ' A' ' 58' ' ' TRP . 28.3 tt0 -108.87 102.53 11.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -137.92 -174.74 13.52 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.531 1.145 . . . . 0.0 111.034 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.515 ' CG ' ' HB2' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -118.32 152.43 35.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 0.791 . . . . 0.0 110.328 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.435 ' HB2' ' CB ' ' A' ' 55' ' ' GLN . 0.3 OUTLIER -81.94 112.84 19.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.093 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.255 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.735 ' HB3' HD11 ' A' ' 24' ' ' LEU . 41.0 mt-30 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.515 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . 3.2 tptm -134.33 126.38 29.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -168.1 -179.12 40.41 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.48 1.112 . . . . 0.0 110.949 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.52 ' CD2' ' HB2' ' A' ' 44' ' ' GLN . 75.3 m95 -92.4 117.97 30.46 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.729 ' HB2' HD11 ' A' ' 26' ' ' LEU . 14.6 p90 -130.12 160.12 66.99 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.5 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.3 Cg_endo -75.06 130.26 13.05 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.485 1.781 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.552 ' HB2' ' CD2' ' A' ' 43' ' ' TRP . . . -71.17 -16.41 62.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.9 m -69.77 -8.63 49.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.994 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.5 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 9.2 m-70 -98.09 -15.67 19.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.612 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.562 HG12 HG22 ' A' ' 12' ' ' VAL . 2.3 m -125.69 173.48 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.573 1.171 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -136.57 133.89 36.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.461 ' HA ' HD23 ' A' ' 66' ' ' LEU . 7.9 mt -67.92 134.3 50.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.8 mt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 180.0 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.562 HD13 ' O ' ' A' ' 32' ' ' ILE . 12.5 mm -100.1 146.29 9.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -133.02 133.89 43.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 109.253 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.543 ' CB ' HD21 ' A' ' 67' ' ' LEU . 15.0 tt0 -94.48 117.25 29.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.271 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.65 HG11 ' C ' ' A' ' 27' ' ' ALA . 88.9 t -57.67 134.07 22.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.451 ' CG2' ' HB3' ' A' ' 65' ' ' LYS . 63.4 p -114.74 -20.39 10.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.433 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.2 m -143.59 136.26 27.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.053 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.619 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -66.7 145.57 55.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.484 ' O ' ' N ' ' A' ' 26' ' ' LEU . 75.1 t80 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.54 HD11 ' HB3' ' A' ' 55' ' ' GLN . 33.3 tp -116.14 130.74 56.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 55.9 p -74.88 141.03 44.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.16 . . . . 0.0 110.0 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.725 HD21 ' CG ' ' A' ' 59' ' ' PHE . 14.4 mt -112.1 152.93 27.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.65 ' C ' HG11 ' A' ' 12' ' ' VAL . . . -138.57 140.35 27.53 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.619 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.96 114.07 3.94 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.547 1.814 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.07 20.76 7.37 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.424 ' OE1' ' HB3' ' A' ' 27' ' ' ALA . 25.5 mt-30 -119.0 177.76 4.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 0.0 110.314 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 85.6 mt -131.59 138.66 48.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.313 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.562 ' O ' HD13 ' A' ' 9' ' ' ILE . 5.6 mt -131.23 152.38 37.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.43 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 11.1 tp -108.89 118.05 35.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.167 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 30.8 mm -70.65 124.5 26.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.9 -47.46 3.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.84 147.69 51.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -127.46 132.24 50.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.437 ' OD1' ' N ' ' A' ' 39' ' ' THR . 51.0 t-20 -98.46 155.88 17.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.437 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 7.7 t -82.26 4.01 25.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.4 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.414 ' HB2' ' ND2' ' A' ' 38' ' ' ASN . 0.4 OUTLIER -98.26 -31.65 11.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.021 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 132.94 -13.34 5.01 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.484 1.115 . . . . 0.0 110.966 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.431 ' HH2' ' HH ' ' A' ' 16' ' ' TYR . 80.8 m95 -79.08 129.5 34.52 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 43.0 m0 -114.87 141.54 47.78 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 108.011 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.527 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 49.9 tt0 -108.45 95.27 5.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.43 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -122.65 -179.75 15.94 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.529 1.143 . . . . 0.0 111.019 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.489 ' CG ' ' O ' ' A' ' 55' ' ' GLN . 3.0 tt0 -126.12 121.85 34.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 0.754 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.407 HD21 ' CD ' ' A' ' 30' ' ' GLN . 0.4 OUTLIER -51.09 126.54 16.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.6 mm-40 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 110.335 179.962 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.54 ' HB3' HD11 ' A' ' 24' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -166.39 125.19 1.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -175.47 -174.56 42.16 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.482 1.114 . . . . 0.0 111.014 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.527 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 85.1 m95 -99.67 114.61 27.81 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.725 ' CG ' HD21 ' A' ' 26' ' ' LEU . 12.3 p90 -122.93 160.83 47.63 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.469 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.1 Cg_endo -75.01 129.94 12.8 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.485 1.782 . . . . 0.0 110.999 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.16 -19.51 62.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 109.292 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.0 m -65.29 -10.88 36.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.962 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.469 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 10.7 m-70 -95.94 -21.93 17.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.595 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.6 m -114.25 172.75 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.271 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.451 ' HB3' ' CG2' ' A' ' 13' ' ' THR . 0.8 OUTLIER -143.4 125.4 15.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.409 ' HA ' HD23 ' A' ' 66' ' ' LEU . 8.6 mt -54.69 134.12 47.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.543 HD21 ' CB ' ' A' ' 11' ' ' GLN . 9.6 mt . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.582 HD13 ' O ' ' A' ' 32' ' ' ILE . 10.6 mm -88.19 140.86 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -124.82 139.8 53.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.421 ' O ' HG23 ' A' ' 13' ' ' THR . 21.7 tt0 -101.2 117.7 35.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.282 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.598 HG11 ' C ' ' A' ' 27' ' ' ALA . 87.3 t -60.22 127.41 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 11' ' ' GLN . 55.0 p -111.89 -9.57 14.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 0.0 110.381 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -155.14 132.79 11.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 110.007 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.663 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -63.34 147.72 50.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.481 ' HH ' ' HH2' ' A' ' 42' ' ' TRP . 57.3 t80 . . . . . 0 C--N 1.326 -0.433 0 O-C-N 124.516 1.135 . . . . 0.0 110.946 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.566 HD11 ' HB3' ' A' ' 55' ' ' GLN . 9.9 tp -139.73 126.43 20.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.15 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.471 ' N ' HD12 ' A' ' 24' ' ' LEU . 10.6 m -74.92 123.46 25.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 110.022 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.866 HD11 ' HB2' ' A' ' 59' ' ' PHE . 9.0 mt -103.83 148.54 26.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.598 ' C ' HG11 ' A' ' 12' ' ' VAL . . . -132.26 144.32 52.57 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.663 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.05 111.62 3.37 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.512 1.796 . . . . 0.0 111.003 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.69 19.97 7.12 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.728 ' HB3' HD11 ' A' ' 47' ' ' LEU . 25.7 mt-30 -118.53 169.73 9.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 110.268 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 81.4 mt -122.46 142.14 50.88 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.808 HG13 HD12 ' A' ' 47' ' ' LEU . 6.9 mt -135.23 153.6 34.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.452 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 6.8 tp -110.73 115.6 29.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.938 HG21 ' HE3' ' A' ' 37' ' ' LYS . 38.7 mm -67.43 123.15 19.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.578 HD12 ' HA2' ' A' ' 45' ' ' GLY . 1.0 OUTLIER -111.26 -33.91 6.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 109.275 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -147.13 153.69 40.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.938 ' HE3' HG21 ' A' ' 34' ' ' ILE . 13.3 mttp -129.08 163.0 26.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -138.56 152.57 48.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.158 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 41.1 p -68.03 -32.38 72.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.431 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.5 t -62.12 -45.36 93.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.032 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 140.68 -13.18 2.93 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.481 ' HH2' ' HH ' ' A' ' 16' ' ' TYR . 98.5 m95 -73.21 127.17 31.84 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.592 ' CD2' ' HB2' ' A' ' 61' ' ' ALA . 42.9 m0 -115.26 142.99 45.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 108.044 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.524 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 46.3 tt0 -111.88 97.97 7.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 110.262 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.578 ' HA2' HD12 ' A' ' 35' ' ' LEU . . . -131.42 -172.47 13.1 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.458 1.099 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.448 ' HB2' HD11 ' A' ' 35' ' ' LEU . 1.6 tt0 -128.3 134.59 48.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 0.792 . . . . 0.0 110.329 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.808 HD12 HG13 ' A' ' 32' ' ' ILE . 7.7 tp -69.93 140.5 53.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.281 179.994 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.566 ' HB3' HD11 ' A' ' 24' ' ' LEU . 1.7 mp0 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.69 128.65 8.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.31 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.412 ' CA ' ' HB2' ' A' ' 24' ' ' LEU . . . 176.77 -171.12 44.04 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.54 1.15 . . . . 0.0 111.008 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.524 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 82.0 m95 -94.4 138.36 32.44 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.866 ' HB2' HD11 ' A' ' 26' ' ' LEU . 5.9 p90 -151.04 158.51 34.71 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.437 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.4 Cg_endo -74.98 131.72 14.64 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.497 1.788 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.592 ' HB2' ' CD2' ' A' ' 43' ' ' TRP . . . -73.17 -12.07 60.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -72.39 -13.5 61.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.993 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.437 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 8.2 m-70 -92.77 -20.46 20.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.57 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.417 HG12 HG22 ' A' ' 12' ' ' VAL . 2.4 m -119.94 175.39 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -136.96 132.69 34.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.449 ' HA ' HD23 ' A' ' 66' ' ' LEU . 8.3 mt -67.14 134.13 51.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.8 mt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.994 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.453 HD13 ' HA ' ' A' ' 9' ' ' ILE . 10.7 mm -92.39 144.06 10.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -134.86 130.22 35.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.423 ' CB ' HD21 ' A' ' 67' ' ' LEU . 26.3 tt0 -93.56 121.22 34.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.662 HG11 ' C ' ' A' ' 27' ' ' ALA . 99.8 t -58.26 136.29 21.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.464 ' CG2' ' HB3' ' A' ' 65' ' ' LYS . 63.0 p -115.2 -28.31 6.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.374 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -140.12 133.08 29.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.039 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.682 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -61.97 142.22 57.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 56.0 t80 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 111.028 179.998 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.406 ' HA ' ' O ' ' A' ' 58' ' ' TRP . 47.2 mt-30 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.559 HD11 ' HB3' ' A' ' 55' ' ' GLN . 23.2 tp -124.5 129.4 50.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 86.6 p -73.6 132.07 42.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.989 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.817 HD11 ' HB2' ' A' ' 59' ' ' PHE . 10.7 mt -110.84 150.15 29.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.662 ' C ' HG11 ' A' ' 12' ' ' VAL . . . -135.59 145.76 54.65 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.682 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.97 110.82 3.19 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.47 1.774 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 120.09 -4.09 12.69 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.631 ' O ' HG23 ' A' ' 12' ' ' VAL . 43.3 mt-30 -109.73 150.02 28.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.746 . . . . 0.0 110.307 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.63 ' N ' HD23 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -106.74 153.89 21.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.783 HD13 HD22 ' A' ' 26' ' ' LEU . 4.4 mt -136.45 136.74 48.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.496 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 5.7 tp -87.98 115.04 25.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 33.7 mm -67.94 132.09 32.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.582 1.176 . . . . 0.0 109.283 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.404 ' HG ' ' HA2' ' A' ' 45' ' ' GLY . 0.8 OUTLIER -114.72 -42.21 3.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -138.95 166.03 25.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 48.1 mttt -133.01 156.05 48.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.436 ' OD1' ' CB ' ' A' ' 40' ' ' SER . 18.2 t-20 -128.56 159.27 36.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.9 p -80.34 -22.78 41.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 110.404 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.436 ' CB ' ' OD1' ' A' ' 38' ' ' ASN . 7.3 m -76.43 -27.67 56.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.021 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 122.42 -1.08 10.43 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.507 1.13 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.406 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 91.0 m95 -81.68 121.05 25.89 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 40.0 m0 -109.29 142.74 39.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 108.002 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.565 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 40.1 tt0 -110.93 98.65 7.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.31 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.496 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -126.34 -171.26 13.1 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.483 1.114 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -130.87 127.08 37.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 0.785 . . . . 0.0 110.307 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.452 ' HA ' ' CG1' ' A' ' 32' ' ' ILE . 1.0 OUTLIER -50.06 128.86 19.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.304 -179.968 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.559 ' HB3' HD11 ' A' ' 24' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -157.45 123.75 4.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -173.86 -175.67 41.71 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.474 1.109 . . . . 0.0 110.989 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.565 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 86.2 m95 -99.58 129.03 45.7 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.817 ' HB2' HD11 ' A' ' 26' ' ' LEU . 5.7 p90 -138.8 160.85 61.38 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.466 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.3 Cg_endo -74.99 131.44 14.31 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.516 1.798 . . . . 0.0 111.017 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.472 ' HA ' HG22 ' A' ' 64' ' ' VAL . . . -70.93 -17.45 62.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.9 -10.42 53.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.006 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.466 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 8.6 m-70 -96.95 -25.02 15.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.598 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.472 HG22 ' HA ' ' A' ' 61' ' ' ALA . 2.5 m -111.85 175.35 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.464 ' HB3' ' CG2' ' A' ' 13' ' ' THR . 0.6 OUTLIER -142.01 125.87 17.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 66' ' ' LEU . 8.6 mt -61.92 133.47 55.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.423 HD21 ' CB ' ' A' ' 11' ' ' GLN . 19.1 mt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.424 1.078 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.2 mm -90.99 146.64 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -129.79 132.01 46.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.432 ' HB2' HD11 ' A' ' 67' ' ' LEU . 1.9 tt0 -97.15 120.14 36.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.66 HG11 ' C ' ' A' ' 27' ' ' ALA . 85.2 t -56.78 133.62 21.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.45 ' CG2' ' HB3' ' A' ' 65' ' ' LYS . 71.5 p -117.08 -10.76 10.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.411 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -155.8 131.85 10.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.972 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.611 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -64.29 143.39 57.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 38.7 t80 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 -179.958 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.414 ' HA ' ' O ' ' A' ' 58' ' ' TRP . 3.4 mt-30 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.611 HD23 ' HD2' ' A' ' 59' ' ' PHE . 7.4 tp -129.62 132.3 46.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.417 ' N ' HD12 ' A' ' 24' ' ' LEU . 7.2 p -76.64 136.97 39.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.953 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.687 HD11 ' HB2' ' A' ' 59' ' ' PHE . 17.5 mt -111.76 146.7 37.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.66 ' C ' HG11 ' A' ' 12' ' ' VAL . . . -132.4 141.77 42.49 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.611 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.98 114.75 4.1 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.446 1.761 . . . . 0.0 110.974 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.35 19.17 8.12 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 0.0 110.94 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.803 ' HB3' HD11 ' A' ' 47' ' ' LEU . 36.7 mt-30 -118.65 178.9 4.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 0.755 . . . . 0.0 110.267 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.8 mt -132.98 138.56 46.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.265 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.893 HG13 HD12 ' A' ' 47' ' ' LEU . 8.7 mt -134.73 140.07 46.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.617 HD12 ' CD2' ' A' ' 35' ' ' LEU . 3.1 tm? -95.07 129.61 42.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.4 mm -79.34 116.39 23.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.617 ' CD2' HD12 ' A' ' 33' ' ' LEU . 0.6 OUTLIER -102.89 -54.73 2.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -127.79 153.58 46.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.8 mttp -126.09 169.03 13.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.329 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -143.47 150.48 39.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.569 HG23 ' O ' ' A' ' 39' ' ' THR . 12.9 t -83.83 52.41 2.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.409 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.62 -46.07 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.002 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.93 -19.36 1.42 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.496 1.122 . . . . 0.0 110.963 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 89.4 m95 -79.55 126.62 31.11 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.552 ' CD2' ' HB2' ' A' ' 61' ' ' ALA . 38.9 m0 -117.49 141.08 48.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 108.004 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.528 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 47.4 tt0 -104.67 95.64 6.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.563 ' HA2' HD12 ' A' ' 35' ' ' LEU . . . -128.23 -173.05 13.34 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.52 1.137 . . . . 0.0 110.975 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -132.69 132.86 42.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 110.303 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.893 HD12 HG13 ' A' ' 32' ' ' ILE . 10.0 tp -65.45 137.81 57.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 93.5 mm-40 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.301 179.984 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.537 ' HB3' HD11 ' A' ' 24' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.19 127.92 11.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.426 ' N ' ' HB2' ' A' ' 24' ' ' LEU . . . -179.34 -166.02 34.47 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.521 1.138 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.528 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 87.1 m95 -100.29 120.35 39.79 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.687 ' HB2' HD11 ' A' ' 26' ' ' LEU . 5.9 p90 -132.52 158.67 75.07 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.14 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.428 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.2 Cg_endo -75.06 132.27 15.16 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.481 1.779 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.552 ' HB2' ' CD2' ' A' ' 43' ' ' TRP . . . -71.32 -15.77 62.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.18 -23.43 64.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 110.034 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.428 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 14.5 m-70 -86.08 -13.05 48.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.597 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.478 HG22 ' HA ' ' A' ' 61' ' ' ALA . 1.4 m -122.81 175.66 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.45 ' HB3' ' CG2' ' A' ' 13' ' ' THR . 0.1 OUTLIER -143.34 122.35 12.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.524 HD23 ' HA ' ' A' ' 66' ' ' LEU . 8.9 mt -59.94 133.11 55.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.432 HD11 ' HB2' ' A' ' 11' ' ' GLN . 28.3 mt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.326 -0.249 . . . . 0.0 110.326 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.9 mm -80.67 145.86 8.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -123.86 146.33 48.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.349 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -108.32 111.11 22.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 110.292 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.566 HG11 ' C ' ' A' ' 27' ' ' ALA . 86.7 t -55.72 131.52 18.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.317 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.457 HG21 ' HB3' ' A' ' 65' ' ' LYS . 69.2 p -115.98 -14.9 11.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.39 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.98 128.91 15.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.018 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.662 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -62.89 145.34 55.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 22.2 t80 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 111.021 179.976 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.41 ' HA ' ' O ' ' A' ' 58' ' ' TRP . 71.1 mt-30 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.66 HD11 ' HB3' ' A' ' 55' ' ' GLN . 10.3 tp -130.15 129.24 43.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.472 ' N ' HD12 ' A' ' 24' ' ' LEU . 21.2 m -71.46 138.15 48.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.0 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.83 HD11 ' HB2' ' A' ' 59' ' ' PHE . 12.8 mt -118.27 142.34 47.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.566 ' C ' HG11 ' A' ' 12' ' ' VAL . . . -128.59 144.76 53.4 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.662 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.97 111.84 3.42 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.524 1.802 . . . . 0.0 111.027 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 113.0 17.33 7.9 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.496 1.122 . . . . 0.0 110.992 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.902 ' NE2' HD21 ' A' ' 47' ' ' LEU . 24.5 mt-30 -114.52 175.67 5.38 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 0.732 . . . . 0.0 110.304 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.0 mt -131.55 141.61 49.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.851 HG13 HD12 ' A' ' 47' ' ' LEU . 6.6 mt -135.52 149.9 28.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.5 tp -104.07 115.95 31.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.802 HG21 ' HE2' ' A' ' 37' ' ' LYS . 51.1 mm -67.47 122.87 19.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.578 HD12 ' HA2' ' A' ' 45' ' ' GLY . 8.0 mt -107.14 -50.38 3.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.62 158.19 43.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.802 ' HE2' HG21 ' A' ' 34' ' ' ILE . 72.0 mttt -129.01 167.89 16.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.44 ' OD1' ' N ' ' A' ' 39' ' ' THR . 35.6 t30 -138.7 163.1 33.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.44 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 3.4 p -93.25 43.89 1.13 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 110.428 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.408 ' HB2' ' ND2' ' A' ' 38' ' ' ASN . 37.8 m -143.13 -42.63 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.035 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 145.1 -15.96 1.92 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.558 1.161 . . . . 0.0 111.0 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -76.93 123.35 26.17 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.563 ' CD2' ' HB2' ' A' ' 61' ' ' ALA . 38.5 m0 -115.97 143.18 45.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 107.987 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.476 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 29.4 tt0 -108.97 110.95 22.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.133 . . . . 0.0 110.272 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.578 ' HA2' HD12 ' A' ' 35' ' ' LEU . . . -152.4 -178.84 27.47 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.561 1.163 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.416 ' O ' ' HA ' ' A' ' 32' ' ' ILE . 4.9 tm-20 -117.76 154.55 31.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 0.761 . . . . 0.0 110.327 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.902 HD21 ' NE2' ' A' ' 30' ' ' GLN . 10.3 tp -85.86 138.67 31.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 52.3 mm-40 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 179.998 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.66 ' HB3' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.475 ' HA ' HD22 ' A' ' 24' ' ' LEU . 1.4 tmtt? -136.32 134.46 37.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.424 ' N ' ' HB2' ' A' ' 24' ' ' LEU . . . 176.78 -179.33 47.81 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.476 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 80.2 m95 -89.67 120.26 30.79 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.83 ' HB2' HD11 ' A' ' 26' ' ' LEU . 9.8 p90 -132.18 158.54 75.28 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.4 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.4 Cg_endo -74.95 131.01 13.86 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.471 1.774 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.563 ' HB2' ' CD2' ' A' ' 43' ' ' TRP . . . -71.5 -14.57 62.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 62.5 m -70.21 -12.87 61.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.041 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.4 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 8.7 m-70 -95.11 -11.37 28.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.556 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.414 HG12 HG22 ' A' ' 12' ' ' VAL . 2.2 m -128.7 174.81 11.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.457 ' HB3' HG21 ' A' ' 13' ' ' THR . 7.2 ptmt -139.11 123.72 18.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 66' ' ' LEU . 8.8 mt -57.45 133.22 55.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.7 mt . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.941 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.9 mm -90.33 144.65 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -127.28 137.84 52.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -103.78 116.34 32.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.616 HG11 ' C ' ' A' ' 27' ' ' ALA . 89.6 t -57.11 130.97 20.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.444 HG21 ' HB3' ' A' ' 65' ' ' LYS . 48.7 p -115.63 -15.36 11.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.407 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -148.31 129.4 14.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.982 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.635 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -62.24 145.45 53.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.273 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.45 ' HH ' ' HH2' ' A' ' 42' ' ' TRP . 71.1 t80 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.612 HD23 ' HD2' ' A' ' 59' ' ' PHE . 11.3 tp -129.65 132.55 46.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.5 m -77.53 130.76 37.37 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 110.007 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.695 HD11 ' HB2' ' A' ' 59' ' ' PHE . 20.0 mt -109.47 145.22 36.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.616 ' C ' HG11 ' A' ' 12' ' ' VAL . . . -129.56 142.34 44.94 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.635 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.1 Cg_endo -75.04 113.69 3.85 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.498 1.788 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.6 19.87 7.63 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.692 ' HB3' HD11 ' A' ' 47' ' ' LEU . 32.2 mt-30 -120.65 172.79 7.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 0.738 . . . . 0.0 110.292 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.9 mt -124.33 142.13 51.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.34 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.889 HG13 HD12 ' A' ' 47' ' ' LEU . 7.1 mt -136.96 139.01 45.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.508 HD22 ' N ' ' A' ' 34' ' ' ILE . 2.1 tm? -94.96 128.23 41.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.356 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.508 ' N ' HD22 ' A' ' 33' ' ' LEU . 36.6 mm -77.64 122.17 31.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.321 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.562 HD12 ' HA2' ' A' ' 45' ' ' GLY . 0.6 OUTLIER -107.4 -45.53 4.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.98 146.3 38.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.453 ' CE ' HG21 ' A' ' 34' ' ' ILE . 2.8 mtmt -128.39 155.07 45.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.422 ' ND2' ' HB2' ' A' ' 40' ' ' SER . 26.1 p-10 -133.5 153.13 51.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.68 HG23 ' O ' ' A' ' 39' ' ' THR . 8.1 t -81.66 50.87 1.57 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.383 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.422 ' HB2' ' ND2' ' A' ' 38' ' ' ASN . 0.1 OUTLIER -140.28 -44.72 0.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.964 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.449 ' O ' ' HA ' ' A' ' 60' ' ' PRO . . . 140.21 -10.71 3.03 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.5 1.125 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.45 ' HH2' ' HH ' ' A' ' 16' ' ' TYR . 94.0 m95 -90.6 113.13 25.08 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.406 ' CE2' ' HD3' ' A' ' 37' ' ' LYS . 35.6 m0 -105.07 141.38 36.74 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.01 -1.108 . . . . 0.0 108.01 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.527 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 52.8 tt0 -106.11 94.14 5.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.562 ' HA2' HD12 ' A' ' 35' ' ' LEU . . . -127.5 -173.52 13.51 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.469 1.106 . . . . 0.0 110.978 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -131.06 136.37 48.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 0.75 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.889 HD12 HG13 ' A' ' 32' ' ' ILE . 9.6 tp -69.35 137.48 52.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.251 -179.938 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.591 ' HB3' HD11 ' A' ' 24' ' ' LEU . 1.2 mp0 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.46 125.44 5.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -179.39 -171.93 43.0 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.492 1.12 . . . . 0.0 111.046 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.527 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 80.2 m95 -96.84 116.8 29.79 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.695 ' HB2' HD11 ' A' ' 26' ' ' LEU . 5.4 p90 -126.61 159.38 63.93 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.961 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.485 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.3 Cg_endo -75.07 132.13 14.99 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.483 1.781 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 64' ' ' VAL . . . -71.01 -17.2 62.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 74.5 m -69.73 -9.77 55.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.035 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.485 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 12.0 m-70 -99.35 -13.8 19.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.621 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.464 ' CG1' HD13 ' A' ' 26' ' ' LEU . 1.5 m -126.4 175.16 8.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.444 ' HB3' HG21 ' A' ' 13' ' ' THR . 0.0 OUTLIER -140.17 132.94 29.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 66' ' ' LEU . 9.3 mt -67.96 133.48 49.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.2 mt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.095 . . . . 0.0 109.29 -179.984 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 23.2 mm -110.53 155.24 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.548 ' HA ' ' CD1' ' A' ' 67' ' ' LEU . . . -149.91 134.22 17.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -94.57 127.78 40.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.337 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.581 HG11 ' C ' ' A' ' 27' ' ' ALA . 96.2 t -66.11 130.84 31.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 51.0 p -113.25 -24.32 9.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.381 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -137.19 130.46 31.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.992 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.632 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -65.05 142.26 58.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.536 1.148 . . . . 0.0 109.326 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.422 ' HB2' ' ND1' ' A' ' 63' ' ' HIS . 64.1 t80 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.968 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' A' ' 58' ' ' TRP . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.332 -0.248 . . . . 0.0 110.332 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.463 HD11 ' HB3' ' A' ' 55' ' ' GLN . 19.4 tp -122.46 129.77 52.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 90.1 p -74.24 122.18 22.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.996 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.768 HD11 ' HB2' ' A' ' 59' ' ' PHE . 11.5 mt -98.2 149.27 22.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.581 ' C ' HG11 ' A' ' 12' ' ' VAL . . . -133.36 140.84 38.37 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.632 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.96 113.76 3.87 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.478 1.778 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.35 20.67 6.91 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.499 1.125 . . . . 0.0 111.031 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.544 ' OE1' HD21 ' A' ' 47' ' ' LEU . 27.4 mt-30 -120.79 -178.62 3.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 0.74 . . . . 0.0 110.327 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 58.5 mt -133.31 145.85 50.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.55 HG21 ' CE2' ' A' ' 59' ' ' PHE . 6.0 mt -138.05 146.01 27.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.417 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 6.8 tp -103.34 115.35 30.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.511 HG21 ' CD ' ' A' ' 37' ' ' LYS . 35.5 mm -66.52 123.15 18.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.245 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.472 HD12 ' CA ' ' A' ' 45' ' ' GLY . 0.4 OUTLIER -108.2 -47.09 3.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.26 138.36 46.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.511 ' CD ' HG21 ' A' ' 34' ' ' ILE . 3.2 mtmp? -124.29 151.53 44.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 42.8 p-10 -141.24 169.04 18.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.1 t -79.79 -33.2 40.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 110.427 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.3 -44.47 11.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.015 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 126.27 -0.24 7.55 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.45 1.094 . . . . 0.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 80.7 m95 -96.32 128.77 43.54 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 36.5 m0 -112.8 142.07 45.86 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.515 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 54.6 tt0 -109.58 93.83 4.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.32 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.472 ' CA ' HD12 ' A' ' 35' ' ' LEU . . . -121.34 -175.76 15.16 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.568 1.167 . . . . 0.0 111.036 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 55' ' ' GLN . 0.8 OUTLIER -127.55 122.57 33.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 0.747 . . . . 0.0 110.259 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.544 HD21 ' OE1' ' A' ' 30' ' ' GLN . 0.4 OUTLIER -50.23 117.97 2.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 62.8 mm-40 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.334 179.995 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.5 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 2.0 mm-40 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.3 123.66 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -175.45 -179.64 46.11 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.452 1.095 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.515 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 73.9 m95 -94.85 118.35 31.63 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.768 ' HB2' HD11 ' A' ' 26' ' ' LEU . 11.2 p90 -128.62 159.99 65.1 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.523 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.4 Cg_endo -74.97 130.92 13.75 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.503 1.791 . . . . 0.0 110.998 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.29 -18.87 63.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.5 m -67.3 -9.3 39.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.137 . . . . 0.0 110.001 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.523 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 8.2 m-70 -97.03 -18.31 19.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.619 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.447 HG12 HG22 ' A' ' 12' ' ' VAL . 2.1 m -121.69 175.79 4.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.431 ' O ' ' HA ' ' A' ' 10' ' ' ALA . 17.1 ptmt -137.38 135.84 37.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.469 HD23 ' HA ' ' A' ' 66' ' ' LEU . 8.7 mt -78.34 132.5 37.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.717 HD12 ' N ' ' A' ' 67' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.553 HD13 ' O ' ' A' ' 32' ' ' ILE . 12.3 mm -102.2 142.02 17.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -127.87 134.57 49.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.255 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -96.46 114.96 26.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.593 HG11 ' C ' ' A' ' 27' ' ' ALA . 89.9 t -58.08 135.27 22.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.446 HG21 ' HB3' ' A' ' 65' ' ' LYS . 71.9 p -115.82 -26.34 7.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.386 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.418 ' HB2' ' ND1' ' A' ' 63' ' ' HIS . 1.8 m -133.42 138.17 46.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.113 . . . . 0.0 110.018 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.659 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -69.75 142.63 53.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.484 ' O ' ' N ' ' A' ' 26' ' ' LEU . 72.0 t80 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.976 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.442 ' HA ' ' O ' ' A' ' 58' ' ' TRP . 50.8 mt-30 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 58' ' ' TRP . 16.5 tp -141.7 129.65 21.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 m -74.76 141.67 44.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.133 . . . . 0.0 110.0 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.672 HD11 ' CD1' ' A' ' 59' ' ' PHE . 22.1 mt -116.69 153.07 32.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.593 ' C ' HG11 ' A' ' 12' ' ' VAL . . . -138.91 143.73 38.48 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.659 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.06 112.41 3.55 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.446 1.761 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.71 17.47 7.99 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.463 1.102 . . . . 0.0 111.016 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.408 ' CD ' HD21 ' A' ' 47' ' ' LEU . 34.5 mt-30 -114.42 175.44 5.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 0.778 . . . . 0.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 80.1 mt -131.23 139.43 49.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.553 ' O ' HD13 ' A' ' 9' ' ' ILE . 5.4 mt -131.32 152.64 37.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 tt -111.4 114.01 26.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.412 HG21 ' CE ' ' A' ' 37' ' ' LYS . 41.0 mm -64.14 126.85 23.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.624 HD11 ' HB2' ' A' ' 46' ' ' GLU . 7.2 mt -114.57 -49.25 2.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -134.0 159.12 41.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.359 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.412 ' CE ' HG21 ' A' ' 34' ' ' ILE . 39.7 mttt -131.52 143.42 50.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 109.365 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -105.14 -0.45 26.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 81.1 p 46.77 23.83 0.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.385 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.83 6.72 6.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.023 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.454 ' O ' ' HA ' ' A' ' 60' ' ' PRO . . . 108.93 -18.15 31.73 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.473 1.108 . . . . 0.0 111.016 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 92.9 m95 -95.59 126.26 40.75 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 32.0 m0 -118.57 141.19 48.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 107.983 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.518 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 40.3 tt0 -108.54 101.44 10.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.328 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -133.88 -171.13 12.52 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.468 1.105 . . . . 0.0 111.032 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.624 ' HB2' HD11 ' A' ' 35' ' ' LEU . 0.9 OUTLIER -125.17 131.24 53.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 0.731 . . . . 0.0 110.324 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.418 ' HA ' ' CG1' ' A' ' 32' ' ' ILE . 0.5 OUTLIER -62.98 113.07 2.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 -179.993 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.421 ' O ' ' HA ' ' A' ' 46' ' ' GLU . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.267 -0.272 . . . . 0.0 110.267 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.23 128.2 33.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -178.69 -170.59 40.92 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.518 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 83.9 m95 -102.21 144.23 31.01 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.672 ' CD1' HD11 ' A' ' 26' ' ' LEU . 19.7 p90 -155.27 159.46 31.71 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 111.036 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.454 ' HA ' ' O ' ' A' ' 41' ' ' GLY . 18.1 Cg_endo -75.04 130.48 13.27 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 110.962 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.66 -15.18 62.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.82 -12.75 61.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.988 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.418 ' ND1' ' HB2' ' A' ' 14' ' ' SER . 6.1 m-70 -93.24 -16.8 24.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.621 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.485 HG12 HG22 ' A' ' 12' ' ' VAL . 2.1 m -121.0 173.23 6.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.446 ' HB3' HG21 ' A' ' 13' ' ' THR . 3.3 ptmt -138.76 127.67 23.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.499 ' HA ' HD23 ' A' ' 66' ' ' LEU . 8.8 mt -59.62 133.88 56.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.8 mt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.999 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.45 HD13 ' O ' ' A' ' 32' ' ' ILE . 17.0 mm -110.34 147.06 14.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -131.99 128.75 39.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.255 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -90.19 114.38 26.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.323 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.637 HG11 ' C ' ' A' ' 27' ' ' ALA . 90.3 t -54.55 137.65 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.46 HG21 ' HB3' ' A' ' 65' ' ' LYS . 65.2 p -114.62 -27.74 7.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.396 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.413 ' HB2' ' ND1' ' A' ' 63' ' ' HIS . 16.5 m -134.39 147.0 50.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.014 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.462 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -76.22 138.26 40.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.502 ' O ' ' N ' ' A' ' 26' ' ' LEU . 60.1 t80 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 111.016 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.457 ' HA ' ' O ' ' A' ' 58' ' ' TRP . 69.6 mt-30 . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' A' ' 55' ' ' GLN . 10.3 tp -120.31 129.01 53.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.17 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.408 ' N ' HD12 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -68.82 124.58 24.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 110.015 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.804 HD11 ' HB2' ' A' ' 59' ' ' PHE . 21.4 mt -103.32 156.1 17.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.637 ' C ' HG11 ' A' ' 12' ' ' VAL . . . -143.07 139.72 17.08 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.462 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -75.01 111.38 3.31 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.513 1.796 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 115.02 20.59 5.59 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.503 1.127 . . . . 0.0 110.963 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -120.8 -178.5 3.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 0.758 . . . . 0.0 110.319 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.8 mt -135.75 140.63 44.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.49 HG21 ' CE2' ' A' ' 59' ' ' PHE . 5.0 mt -132.83 152.58 36.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.426 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 5.3 tp -107.06 116.74 32.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.755 HG21 ' HE2' ' A' ' 37' ' ' LYS . 42.9 mm -68.49 119.99 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.456 HD12 ' CA ' ' A' ' 45' ' ' GLY . 0.6 OUTLIER -107.1 -39.0 5.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.262 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.51 155.03 42.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.755 ' HE2' HG21 ' A' ' 34' ' ' ILE . 25.2 mttm -128.48 166.23 19.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.423 ' ND2' ' HB2' ' A' ' 40' ' ' SER . 41.1 t30 -147.29 132.55 18.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 63.3 p -44.53 -46.33 9.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.366 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.423 ' HB2' ' ND2' ' A' ' 38' ' ' ASN . 0.4 OUTLIER -46.83 -32.62 3.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.163 . . . . 0.0 110.004 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 122.64 -16.53 8.4 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.558 1.161 . . . . 0.0 111.003 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -67.51 127.25 32.03 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.563 ' CD2' ' HB2' ' A' ' 61' ' ' ALA . 45.0 m0 -114.52 140.95 48.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 107.996 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.521 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 52.6 tt0 -109.77 94.22 4.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.456 ' CA ' HD12 ' A' ' 35' ' ' LEU . . . -123.31 -177.9 15.28 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -126.31 125.68 42.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 0.748 . . . . 0.0 110.291 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.422 ' HA ' ' CG1' ' A' ' 32' ' ' ILE . 0.6 OUTLIER -55.99 130.66 44.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 179.994 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.47 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 1.7 mp0 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.318 -0.252 . . . . 0.0 110.318 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.78 125.44 3.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -172.93 -175.74 41.0 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.471 1.107 . . . . 0.0 110.967 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.521 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 80.9 m95 -101.04 108.97 20.81 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.804 ' HB2' HD11 ' A' ' 26' ' ' LEU . 14.5 p90 -118.22 156.61 50.48 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 111.016 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 132.66 15.67 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.511 1.795 . . . . 0.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.563 ' HB2' ' CD2' ' A' ' 43' ' ' TRP . . . -71.3 -9.68 58.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.8 t -76.49 -15.86 59.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.026 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.418 ' ND1' ' HB2' ' A' ' 16' ' ' TYR . 3.6 m-70 -92.08 -8.81 44.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.58 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.442 HG12 HG22 ' A' ' 12' ' ' VAL . 2.4 m -132.66 176.02 10.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.46 ' HB3' HG21 ' A' ' 13' ' ' THR . 0.0 OUTLIER -140.09 127.86 21.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.274 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.7 mt -57.4 143.87 38.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.251 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 mt . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.363 179.954 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.5 p -175.22 124.82 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 110.03 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.0 p -146.06 109.54 4.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.973 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.5 -75.37 0.02 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.4 m -146.09 101.95 3.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 0.771 . . . . 0.0 109.969 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.4 p -164.32 111.68 1.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.017 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.86 -168.71 33.61 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.466 1.104 . . . . 0.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -92.45 113.33 25.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 0.809 . . . . 0.0 110.31 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 15.3 mm -93.81 149.25 4.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -134.67 139.3 45.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 109.276 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -101.13 119.95 39.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.634 HG11 ' C ' ' A' ' 27' ' ' ALA . 98.8 t -59.3 130.94 23.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.457 ' CG2' ' HB3' ' A' ' 65' ' ' LYS . 72.9 p -113.97 -16.95 12.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 110.384 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -148.29 129.98 15.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 109.94 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.652 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -62.11 146.7 49.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.454 ' CE2' ' HA ' ' A' ' 18' ' ' ALA . 45.6 t80 -138.39 154.72 48.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 111.026 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 62.4 t -121.74 93.79 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.538 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . -53.65 127.61 26.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.3 m -60.76 -61.19 2.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.02 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 22' ' ' GLU . . . 162.15 -41.24 0.38 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.55 1.156 . . . . 0.0 110.966 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.41 85.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 0.784 . . . . 0.0 110.0 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER 43.21 45.83 4.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.48 ' HB3' ' HB1' ' A' ' 18' ' ' ALA . 44.9 mt-30 -109.07 153.04 24.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.349 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.538 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 22.4 tp -122.14 130.01 52.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.167 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.1 p -74.62 137.55 42.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 110.004 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.722 HD11 ' HB2' ' A' ' 59' ' ' PHE . 13.6 mt -112.96 140.59 47.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.634 ' C ' HG11 ' A' ' 12' ' ' VAL . . . -126.83 142.43 43.43 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.652 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 17.9 Cg_endo -75.07 113.36 3.77 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.484 1.781 . . . . 0.0 110.974 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.24 20.47 7.06 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 0.0 110.962 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.547 ' OE1' ' HB3' ' A' ' 27' ' ' ALA . 46.7 mt-30 -119.69 179.93 4.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.771 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 66.4 mt -132.25 144.8 50.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 109.281 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.508 HG21 ' CE2' ' A' ' 59' ' ' PHE . 6.1 mt -137.85 145.79 28.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.348 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 tp -102.85 118.03 35.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.569 HG21 ' HE3' ' A' ' 37' ' ' LYS . 33.0 mm -70.66 123.5 24.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.1 -41.25 4.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.098 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.4 ttmt -140.18 147.53 40.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.098 . . . . 0.0 109.309 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.569 ' HE3' HG21 ' A' ' 34' ' ' ILE . 4.8 mttp -128.96 147.74 50.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.446 ' OD1' ' N ' ' A' ' 39' ' ' THR . 49.8 t-20 -115.46 156.69 25.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.446 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 23.0 p -78.78 1.37 23.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.408 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.24 -35.15 10.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.011 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 136.57 -23.58 3.25 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.547 1.154 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 87.9 m95 -67.21 124.9 24.4 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.473 ' CE2' ' HD3' ' A' ' 37' ' ' LYS . 43.9 m0 -115.07 141.44 48.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 108.007 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.526 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 51.1 tt0 -107.02 95.26 5.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.318 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -122.65 -179.94 15.99 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.488 1.118 . . . . 0.0 110.959 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 55' ' ' GLN . 4.2 tt0 -125.33 120.28 30.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 0.781 . . . . 0.0 110.282 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.727 ' CD2' ' HB3' ' A' ' 49' ' ' ALA . 0.3 OUTLIER -51.12 115.63 1.64 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 53.4 mm-40 -90.0 36.42 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.262 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.727 ' HB3' ' CD2' ' A' ' 47' ' ' LEU . . . -124.24 147.56 47.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -46.29 122.03 3.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.258 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -152.4 144.01 11.02 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.506 1.129 . . . . 0.0 110.977 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -42.36 -51.5 4.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 0.766 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.06 133.5 47.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.3 mtt85 -42.34 109.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 110.298 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.508 ' HB3' HD11 ' A' ' 24' ' ' LEU . 1.4 mp0 -71.19 130.6 41.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.03 125.29 4.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -174.48 -170.69 37.97 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.523 1.139 . . . . 0.0 110.975 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.526 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 82.1 m95 -100.03 128.45 46.11 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.722 ' HB2' HD11 ' A' ' 26' ' ' LEU . 7.3 p90 -138.95 159.58 66.39 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 111.022 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.504 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.4 Cg_endo -74.98 131.28 14.13 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.479 1.779 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.42 ' HB2' ' CD2' ' A' ' 43' ' ' TRP . . . -72.08 -11.35 60.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.6 -12.01 60.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.001 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.504 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 9.9 m-70 -94.78 -19.26 20.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 109.626 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.9 m -116.93 174.2 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.457 ' HB3' ' CG2' ' A' ' 13' ' ' THR . 0.8 OUTLIER -141.51 125.38 17.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.473 ' HA ' HD23 ' A' ' 66' ' ' LEU . 8.5 mt -58.68 133.38 55.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.6 mt -89.46 15.7 8.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.082 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 38.04 71.56 0.22 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.119 . . . . 0.0 110.966 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 64.37 6.05 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.487 1.783 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 t -178.18 76.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.962 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 44.1 p -163.8 166.55 21.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.959 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -124.57 84.96 2.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 110.285 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 6.9 mtp-105 61.41 92.91 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.3 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -43.95 105.85 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.89 165.64 24.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.15 . . . . 0.0 110.011 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 155.1 -80.76 0.18 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 66.23 6.04 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.44 166.7 1.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 110.017 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.4 t -114.24 -58.06 2.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 110.001 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 -179.953 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.1 p -148.92 108.6 4.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 0.775 . . . . 0.0 109.983 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t -171.46 -59.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.016 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.32 -90.75 0.3 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 70.69 -66.22 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 0.775 . . . . 0.0 110.007 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.2 p -172.28 148.81 2.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.972 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.662 ' HA3' HD11 ' A' ' 33' ' ' LEU . . . -54.31 164.77 2.88 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.471 1.107 . . . . 0.0 110.965 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.3 118.77 15.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 110.268 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.3 mm -92.88 150.13 3.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -134.8 138.21 44.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.43 ' O ' HG23 ' A' ' 13' ' ' THR . 23.5 tt0 -99.86 113.92 26.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.604 HG11 ' C ' ' A' ' 27' ' ' ALA . 94.8 t -54.67 134.87 17.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.443 HG21 ' HB3' ' A' ' 65' ' ' LYS . 73.0 p -118.96 -7.79 10.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.449 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.0 129.28 6.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.978 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.644 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -62.35 147.44 48.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -139.95 155.61 47.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 111.027 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 67.2 t -125.41 100.91 7.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.445 1.091 . . . . 0.0 109.328 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.452 ' HB1' ' HB3' ' A' ' 23' ' ' GLN . . . -47.29 157.25 0.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.6 m -108.64 -56.26 2.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 109.995 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -89.47 -160.78 36.84 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.463 1.102 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.15 -35.69 13.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 0.753 . . . . 0.0 109.986 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.468 ' O ' ' CA ' ' A' ' 57' ' ' GLY . 0.1 OUTLIER -68.17 -29.66 68.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.24 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.452 ' HB3' ' HB1' ' A' ' 18' ' ' ALA . 8.1 mp0 -63.36 158.82 19.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.303 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.596 HD11 ' HB3' ' A' ' 55' ' ' GLN . 20.5 tp -129.35 130.1 45.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.561 1.163 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.3 p -74.46 131.35 40.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.016 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.738 HD21 ' CG ' ' A' ' 59' ' ' PHE . 15.7 mt -103.76 142.0 35.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 0.0 109.267 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.604 ' C ' HG11 ' A' ' 12' ' ' VAL . . . -126.33 140.82 38.17 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.644 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.99 113.0 3.69 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.512 1.796 . . . . 0.0 111.02 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 108.84 25.39 5.68 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.488 1.118 . . . . 0.0 111.0 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.604 ' OE1' ' HB3' ' A' ' 27' ' ' ALA . 43.8 mt-30 -124.27 -178.14 4.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 0.758 . . . . 0.0 110.327 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 72.2 mt -135.87 142.8 44.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.498 HG21 ' CE2' ' A' ' 59' ' ' PHE . 6.1 mt -136.32 144.32 33.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.662 HD11 ' HA3' ' A' ' 7' ' ' GLY . 7.3 tp -98.21 116.61 30.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.122 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.593 HG21 ' HE3' ' A' ' 37' ' ' LYS . 31.8 mm -69.22 122.06 19.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.467 ' CD1' ' HA2' ' A' ' 45' ' ' GLY . 0.2 OUTLIER -109.04 -35.51 6.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -146.65 148.28 31.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.593 ' HE3' HG21 ' A' ' 34' ' ' ILE . 5.2 mttp -129.66 126.95 39.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -88.9 169.37 11.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.16 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.4 t -96.16 13.91 25.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.407 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.78 -34.16 6.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.997 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 138.21 -11.91 3.56 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.532 1.145 . . . . 0.0 111.037 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -81.34 126.81 32.04 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.495 ' CE2' ' HD3' ' A' ' 37' ' ' LYS . 40.1 m0 -114.92 144.17 43.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 107.998 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.515 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 5.6 tt0 -110.4 99.22 8.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.467 ' HA2' ' CD1' ' A' ' 35' ' ' LEU . . . -130.11 179.65 16.69 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.457 1.098 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.455 ' CG ' ' O ' ' A' ' 55' ' ' GLN . 8.1 tt0 -121.86 131.23 53.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 0.755 . . . . 0.0 110.26 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.661 HD22 ' HB3' ' A' ' 49' ' ' ALA . 0.2 OUTLIER -63.62 121.8 14.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 63.6 mm-40 -90.79 28.81 1.45 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.661 ' HB3' HD22 ' A' ' 47' ' ' LEU . . . -114.97 151.64 33.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.4 132.01 34.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.43 ' O ' ' CB ' ' A' ' 52' ' ' LYS . . . 169.84 90.08 0.08 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.519 1.137 . . . . 0.0 111.048 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.43 ' CB ' ' O ' ' A' ' 51' ' ' GLY . 8.9 tttt 82.33 -68.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 0.77 . . . . 0.0 109.341 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -159.47 -178.2 6.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -76.7 105.44 7.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.285 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.596 ' HB3' HD11 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -67.47 140.37 57.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 110.266 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.11 129.86 6.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.468 ' CA ' ' O ' ' A' ' 22' ' ' GLU . . . 179.14 -163.7 31.42 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.451 1.094 . . . . 0.0 111.001 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.515 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 83.9 m95 -101.83 143.09 32.16 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.738 ' CG ' HD21 ' A' ' 26' ' ' LEU . 5.7 p90 -155.25 158.56 32.01 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.517 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.3 Cg_endo -75.0 132.14 15.08 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.472 1.775 . . . . 0.0 111.02 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.404 ' HB2' ' CD2' ' A' ' 43' ' ' TRP . . . -71.35 -15.88 62.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.86 -9.1 56.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.014 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.517 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 9.6 m-70 -98.22 -15.04 20.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.572 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.0 m -125.85 173.88 10.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.443 ' HB3' HG21 ' A' ' 13' ' ' THR . 0.0 OUTLIER -139.12 127.9 23.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.333 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.511 ' HA ' HD23 ' A' ' 66' ' ' LEU . 8.7 mt -60.98 134.12 56.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.0 mt -88.86 14.44 10.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -98.58 124.56 8.25 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 164.5 33.22 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.47 1.774 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 26.5 t -135.44 -58.52 0.78 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 110.022 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.59 136.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.977 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -150.15 99.6 2.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -58.99 158.54 8.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 110.347 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -170.7 -53.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.429 1.081 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.48 -55.76 2.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.421 1.075 . . . . 0.0 109.996 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -59.63 157.76 24.78 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.528 1.143 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 135.41 19.07 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.473 1.775 . . . . 0.0 110.999 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.45 -57.13 14.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.038 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.31 -58.76 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.021 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.133 . . . . 0.0 110.997 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.97 96.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 0.74 . . . . 0.0 110.007 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.5 m -114.82 107.09 14.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.993 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.64 62.92 0.46 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.481 1.113 . . . . 0.0 110.971 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.6 p -163.0 159.89 23.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 0.0 109.97 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.4 t -165.78 134.54 3.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.051 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.61 172.45 45.17 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.509 1.131 . . . . 0.0 110.973 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -74.89 115.13 14.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 0.766 . . . . 0.0 110.278 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 14.6 mm -96.13 149.31 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -134.7 140.17 45.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.167 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -104.13 120.7 41.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.565 HG11 ' C ' ' A' ' 27' ' ' ALA . 90.6 t -64.18 129.89 28.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.8 p -115.32 -17.2 11.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.391 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -143.04 129.17 19.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 110.054 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.646 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -63.17 145.82 54.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -135.8 154.94 51.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.98 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 43.6 t -129.54 116.57 39.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.99 161.53 0.36 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.6 30.63 0.47 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 109.954 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -154.19 -138.37 2.62 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.547 1.154 . . . . 0.0 111.002 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.47 -40.21 2.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 109.975 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -99.28 40.31 1.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.312 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.411 ' HA ' ' O ' ' A' ' 58' ' ' TRP . 0.4 OUTLIER -115.57 150.52 36.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 110.312 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.551 HD11 ' HB3' ' A' ' 55' ' ' GLN . 23.9 tp -120.75 130.37 54.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 29.3 m -74.66 131.78 41.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 110.044 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.777 HD11 ' HB2' ' A' ' 59' ' ' PHE . 9.2 mt -107.57 143.83 35.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.565 ' C ' HG11 ' A' ' 12' ' ' VAL . . . -128.59 143.81 49.8 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.646 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.01 113.54 3.82 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.516 1.798 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 108.21 24.3 6.31 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.499 1.124 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.521 ' OE1' ' HB3' ' A' ' 27' ' ' ALA . 36.4 mt-30 -121.29 172.92 7.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.577 0.81 . . . . 0.0 110.271 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 72.6 mt -126.13 139.22 53.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.6 mt -132.62 151.08 33.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.482 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 0.1 OUTLIER -106.89 115.55 30.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 43.3 mm -68.46 121.45 17.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.575 1.172 . . . . 0.0 109.34 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.561 HD11 ' HB2' ' A' ' 46' ' ' GLU . 1.3 mt -110.69 -41.75 4.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.84 155.95 47.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -132.01 164.46 26.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.321 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -140.26 150.39 44.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.5 p -60.54 -40.18 90.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.425 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.9 t -55.62 -46.61 77.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.014 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 140.93 -15.88 2.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -66.7 125.11 24.78 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 44.7 m0 -114.76 141.86 47.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 107.985 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.526 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 46.8 tt0 -109.78 97.3 6.86 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.482 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -125.58 -173.33 13.62 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.534 1.146 . . . . 0.0 110.956 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.561 ' HB2' HD11 ' A' ' 35' ' ' LEU . 14.6 tt0 -124.8 130.76 53.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 0.74 . . . . 0.0 110.282 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.584 ' CD2' ' HB3' ' A' ' 49' ' ' ALA . 0.5 OUTLIER -62.98 115.34 4.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -90.99 31.22 1.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.308 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.584 ' HB3' ' CD2' ' A' ' 47' ' ' LEU . . . -136.42 59.42 1.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -179.33 133.31 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.269 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -101.56 148.83 18.04 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.132 . . . . 0.0 110.946 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 73.44 -65.99 0.33 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 0.749 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.1 tttm -87.82 94.52 9.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.0 mmt85 -85.66 109.83 18.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 110.262 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.551 ' HB3' HD11 ' A' ' 24' ' ' LEU . 2.6 mp0 -70.42 134.68 48.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.07 129.25 11.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 109.274 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 178.67 -177.53 48.47 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.481 1.113 . . . . 0.0 111.047 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.526 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 75.6 m95 -94.02 143.98 25.87 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.777 ' HB2' HD11 ' A' ' 26' ' ' LEU . 6.1 p90 -155.02 160.1 31.21 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 111.027 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.507 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.2 Cg_endo -74.99 131.41 14.26 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.501 1.79 . . . . 0.0 110.963 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.49 -17.42 61.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.3 t -67.1 -11.17 56.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.02 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.507 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 10.5 m-70 -94.13 -23.56 17.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.591 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.54 HG12 HG22 ' A' ' 12' ' ' VAL . 2.5 m -115.65 174.29 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.9 ptmt -138.13 129.06 27.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.451 ' HA ' HD23 ' A' ' 66' ' ' LEU . 9.0 mt -62.49 132.78 53.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.3 mt -89.89 14.91 10.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 104.87 167.46 24.25 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -39.69 1.13 Allowed 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.501 1.79 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 49.7 p -136.19 -57.13 0.76 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 110.026 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 44.7 m 59.04 98.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 110.001 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.81 128.72 36.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.57 157.9 23.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -163.24 82.26 0.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.6 m -51.55 135.65 27.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.945 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -106.22 147.51 16.25 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 163.84 34.56 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.492 1.785 . . . . 0.0 111.018 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 84.9 p -173.13 135.08 0.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.988 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.6 t -121.05 -58.5 1.8 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.061 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 179.969 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.4 t -65.37 -59.17 4.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 0.765 . . . . 0.0 109.991 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.1 112.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.986 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.96 157.68 25.46 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.447 1.092 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.0 p -93.28 153.94 18.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 0.758 . . . . 0.0 109.948 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.8 t -150.34 154.26 37.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.428 1.08 . . . . 0.0 109.974 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.526 ' HA3' HD21 ' A' ' 33' ' ' LEU . . . -178.25 156.81 20.21 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.447 1.092 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -65.11 112.21 3.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 0.763 . . . . 0.0 110.319 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.5 mm -91.64 150.76 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -133.62 141.57 47.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -100.9 118.71 37.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.582 HG11 ' C ' ' A' ' 27' ' ' ALA . 85.1 t -62.9 129.91 26.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 69.5 p -112.57 -23.14 10.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.408 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -139.21 132.81 30.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.991 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.651 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -64.13 143.3 57.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -132.53 155.02 49.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.955 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.8 t -128.32 111.68 24.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.7 160.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.27 -50.37 2.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.969 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -88.99 -133.58 4.79 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.534 1.146 . . . . 0.0 110.98 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.41 -42.91 2.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.751 . . . . 0.0 110.013 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.459 ' O ' ' CA ' ' A' ' 57' ' ' GLY . 1.0 OUTLIER -71.17 -15.41 62.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.085 . . . . 0.0 110.3 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.415 ' HA ' ' O ' ' A' ' 58' ' ' TRP . 8.1 mp0 -65.8 151.42 46.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.466 HD11 ' HB3' ' A' ' 55' ' ' GLN . 19.1 tp -122.09 129.78 52.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.351 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 53.1 p -75.2 129.73 37.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.985 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.848 HD11 ' HB2' ' A' ' 59' ' ' PHE . 6.1 mt -106.82 151.93 24.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.582 ' C ' HG11 ' A' ' 12' ' ' VAL . . . -135.52 144.05 47.69 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.651 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.99 112.61 3.6 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.521 1.801 . . . . 0.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.31 20.39 7.47 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.44 ' OE1' HD21 ' A' ' 47' ' ' LEU . 31.4 mt-30 -118.25 175.43 5.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 0.758 . . . . 0.0 110.287 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 48' ' ' GLN . 73.6 mt -126.99 144.22 51.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.492 HG21 ' CE2' ' A' ' 59' ' ' PHE . 5.9 mt -137.62 143.8 32.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.531 HD23 ' N ' ' A' ' 34' ' ' ILE . 3.1 tt -101.38 114.7 28.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.531 ' N ' HD23 ' A' ' 33' ' ' LEU . 44.3 mm -66.9 125.68 24.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.542 HD11 ' HB2' ' A' ' 46' ' ' GLU . 2.3 mt -114.4 -35.92 4.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -147.37 146.89 29.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.349 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -127.63 128.82 46.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 37.7 t-20 -87.93 170.13 11.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.0 t -94.78 13.6 24.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.373 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.58 -34.55 5.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.008 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 142.2 -22.04 2.43 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.52 1.137 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -69.31 127.47 33.17 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.551 ' CD2' ' HB2' ' A' ' 61' ' ' ALA . 44.7 m0 -115.18 140.36 49.15 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.525 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 43.6 tt0 -108.15 98.18 7.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.346 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.426 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -130.3 -170.18 12.65 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.479 1.112 . . . . 0.0 110.976 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.542 ' HB2' HD11 ' A' ' 35' ' ' LEU . 12.0 tt0 -125.87 134.87 51.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 0.769 . . . . 0.0 110.262 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.692 ' CD2' ' HB3' ' A' ' 49' ' ' ALA . 0.3 OUTLIER -64.73 111.03 2.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 31' ' ' LEU . 97.6 mm-40 -91.74 36.19 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.692 ' HB3' ' CD2' ' A' ' 47' ' ' LEU . . . -128.44 142.72 51.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 60.17 154.42 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -125.74 110.86 1.37 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.504 1.127 . . . . 0.0 111.015 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.42 -48.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 0.788 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -140.15 118.71 12.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.423 1.077 . . . . 0.0 109.284 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.8 mmt85 -64.97 89.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.466 ' HB3' HD11 ' A' ' 24' ' ' LEU . 1.2 mp0 -64.54 123.72 19.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.9 127.34 14.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.459 ' CA ' ' O ' ' A' ' 22' ' ' GLU . . . -177.02 -170.38 39.41 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.501 1.126 . . . . 0.0 110.981 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.525 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 85.1 m95 -101.43 143.12 31.84 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.848 ' HB2' HD11 ' A' ' 26' ' ' LEU . 8.6 p90 -155.11 159.03 32.14 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.475 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.2 Cg_endo -75.02 131.18 13.97 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.501 1.79 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.551 ' HB2' ' CD2' ' A' ' 43' ' ' TRP . . . -71.48 -17.74 62.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 54.4 m -67.5 -10.77 54.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.968 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.475 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 7.8 m-70 -95.38 -18.06 21.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.6 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.519 HG12 HG22 ' A' ' 12' ' ' VAL . 2.8 m -122.64 175.82 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.12 128.18 23.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.105 . . . . 0.0 109.292 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.524 HD23 ' HA ' ' A' ' 66' ' ' LEU . 8.5 mt -62.45 135.61 57.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.6 mt -89.28 15.51 8.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 49.89 -155.89 2.23 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.44 1.088 . . . . 0.0 111.029 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 126.33 9.87 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.491 1.785 . . . . 0.0 111.033 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.5 t -131.66 -56.08 1.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.002 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.32 -51.18 68.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.023 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 59.34 160.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -111.47 -42.2 3.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.254 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 53.07 98.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.62 138.39 42.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 110.006 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -166.39 -76.72 0.03 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.559 1.162 . . . . 0.0 111.041 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 79.54 2.66 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.481 1.78 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 87.4 p -60.11 139.39 57.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 110.013 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.49 162.04 15.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.014 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.501 1.125 . . . . 0.0 111.015 -179.981 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.2 p -60.38 153.33 23.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 0.779 . . . . 0.0 109.999 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.03 82.88 0.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.965 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.05 165.93 31.41 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.531 1.144 . . . . 0.0 111.029 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -176.8 171.08 2.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 0.793 . . . . 0.0 110.013 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 m -89.03 -59.6 2.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 110.019 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.532 ' HA3' HD21 ' A' ' 33' ' ' LEU . . . -67.19 145.27 45.93 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.52 116.96 5.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 0.78 . . . . 0.0 110.273 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 22.8 mm -98.43 147.46 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -134.15 136.64 43.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -99.98 121.96 42.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.338 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.575 HG11 ' C ' ' A' ' 27' ' ' ALA . 89.4 t -64.44 130.82 29.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.409 HG21 ' HB3' ' A' ' 65' ' ' LYS . 11.7 p -115.04 -18.14 11.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.423 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.89 132.08 23.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.995 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.661 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -65.44 144.68 56.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -137.07 154.66 50.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.994 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 97.0 t -123.0 103.62 13.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -40.52 145.18 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.3 m -126.26 51.49 1.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.991 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 170.23 -160.99 34.03 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.499 1.124 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.95 -26.78 13.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.974 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.507 ' O ' ' CA ' ' A' ' 57' ' ' GLY . 4.9 pt-20 -90.77 -24.4 20.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.378 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.413 ' HA ' ' O ' ' A' ' 58' ' ' TRP . 15.2 mp0 -63.36 152.24 38.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.55 HD11 ' HB3' ' A' ' 55' ' ' GLN . 20.3 tp -123.53 129.42 51.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.0 m -73.8 135.17 43.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.986 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.785 HD11 ' HB2' ' A' ' 59' ' ' PHE . 12.9 mt -110.73 143.44 41.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.575 ' C ' HG11 ' A' ' 12' ' ' VAL . . . -127.35 143.1 46.01 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.661 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.96 112.05 3.47 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.49 1.784 . . . . 0.0 111.011 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 109.29 26.55 5.12 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.452 1.095 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.509 ' OE1' ' HB3' ' A' ' 27' ' ' ALA . 33.5 mt-30 -124.25 175.54 6.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 0.754 . . . . 0.0 110.338 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 72.3 mt -127.43 147.23 50.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.336 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.435 ' CG1' ' HA ' ' A' ' 47' ' ' LEU . 5.2 mt -139.8 153.34 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.16 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.532 HD21 ' HA3' ' A' ' 7' ' ' GLY . 0.4 OUTLIER -108.93 115.39 29.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 41.8 mm -68.62 116.88 9.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.562 HD11 ' HB2' ' A' ' 46' ' ' GLU . 2.1 mt -105.02 -45.0 4.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -135.07 160.34 38.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.2 mttp -130.33 168.78 16.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -140.22 159.61 41.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.4 p -90.83 53.22 2.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 110.386 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.98 -41.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.012 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 145.91 -17.41 1.77 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.492 1.12 . . . . 0.0 110.96 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -73.85 115.81 13.73 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 38.6 m0 -112.17 144.6 41.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 108.0 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.526 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 44.2 tt0 -110.55 97.9 7.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.447 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -129.45 -172.97 13.27 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.119 . . . . 0.0 111.039 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.562 ' HB2' HD11 ' A' ' 35' ' ' LEU . 17.3 tt0 -123.55 135.52 54.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.71 ' CD2' ' HB3' ' A' ' 49' ' ' ALA . 0.3 OUTLIER -68.08 112.58 5.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -90.66 30.34 1.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.327 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.71 ' HB3' ' CD2' ' A' ' 47' ' ' LEU . . . -122.27 131.3 53.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.148 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.3 ttm180 -44.19 149.37 0.36 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 171.13 -156.71 26.95 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.516 1.135 . . . . 0.0 110.966 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -49.64 -60.49 2.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 109.335 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -158.38 -173.85 4.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -65.78 88.18 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 110.345 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.55 ' HB3' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -59.93 134.98 57.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.337 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.94 126.7 8.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.507 ' CA ' ' O ' ' A' ' 22' ' ' GLU . . . -178.97 -169.63 39.83 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.513 1.133 . . . . 0.0 110.955 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.526 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 86.9 m95 -98.62 144.13 28.25 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.785 ' HB2' HD11 ' A' ' 26' ' ' LEU . 5.8 p90 -155.39 157.0 31.56 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.954 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.475 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.4 Cg_endo -74.94 132.63 15.73 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.433 1.754 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.76 -18.02 62.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 72.5 m -67.54 -11.36 57.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.991 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.475 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 8.1 m-70 -95.62 -18.05 20.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.606 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.41 HG12 HG22 ' A' ' 12' ' ' VAL . 2.0 m -121.1 174.84 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.409 ' HB3' HG21 ' A' ' 13' ' ' THR . 0.5 OUTLIER -138.32 126.59 23.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.527 ' HA ' HD23 ' A' ' 66' ' ' LEU . 8.9 mt -63.56 133.31 53.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 20.0 mt -93.69 16.27 14.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.79 -166.07 15.64 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.485 1.116 . . . . 0.0 110.961 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -40.87 0.78 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.49 1.784 . . . . 0.0 111.033 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.6 m -177.81 -55.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.987 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.9 t -59.64 111.28 1.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.985 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.535 ' O ' ' C ' ' A' ' 73' ' ' ARG . 0.3 OUTLIER -73.71 -17.42 61.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.535 ' C ' ' O ' ' A' ' 72' ' ' GLU . 11.8 ptt180 27.23 60.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 110.283 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.03 96.36 9.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.98 162.12 7.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.984 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 101.51 82.18 1.64 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.503 1.127 . . . . 0.0 110.959 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 59.62 5.23 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.491 1.785 . . . . 0.0 110.998 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.68 126.16 30.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.031 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.03 -58.92 1.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.113 . . . . 0.0 110.016 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.074 0 O-C-N 124.529 1.143 . . . . 0.0 110.989 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.34 126.55 7.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 0.761 . . . . 0.0 110.056 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.4 t -148.94 161.74 41.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 110.04 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.62 109.5 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.483 1.115 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.7 p -69.24 152.41 45.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 109.992 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.8 m -115.6 122.48 45.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 109.984 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.629 ' HA3' HD21 ' A' ' 33' ' ' LEU . . . -85.61 115.93 4.25 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.556 1.16 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.5 mp0 -52.45 133.89 35.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 0.769 . . . . 0.0 110.326 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.6 mm -105.98 144.46 15.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.45 ' HB1' ' CG2' ' A' ' 64' ' ' VAL . . . -131.66 135.59 47.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -100.41 122.19 42.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.608 HG11 ' C ' ' A' ' 27' ' ' ALA . 90.1 t -62.0 132.81 27.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 75.9 p -115.61 -27.07 7.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.431 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.25 131.1 39.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 110.048 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.642 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -65.52 143.28 57.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -130.26 153.46 48.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 78.8 t -127.64 89.43 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.307 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.02 146.77 4.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.0 m -88.82 -59.07 2.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.953 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 150.36 100.21 0.21 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.468 1.105 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 167.37 56.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 0.738 . . . . 0.0 110.01 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 69.12 17.19 8.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 110.319 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.44 ' HA ' ' O ' ' A' ' 58' ' ' TRP . 8.7 mt-30 -86.55 159.39 19.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 110.294 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.615 HD11 ' HB3' ' A' ' 55' ' ' GLN . 21.3 tp -126.06 129.84 49.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.335 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.7 m -70.0 153.46 43.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.118 . . . . 0.0 109.983 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.626 HD11 ' HB2' ' A' ' 59' ' ' PHE . 18.2 mt -127.67 140.66 51.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.608 ' C ' HG11 ' A' ' 12' ' ' VAL . . . -127.58 142.41 44.03 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.642 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.94 111.99 3.45 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.46 1.769 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.86 24.21 5.6 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.133 . . . . 0.0 110.969 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.422 ' OE1' ' HB3' ' A' ' 27' ' ' ALA . 27.5 mt-30 -122.68 174.99 6.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.327 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 74.5 mt -127.49 146.32 50.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.537 HG21 ' CE2' ' A' ' 59' ' ' PHE . 5.8 mt -138.54 152.01 24.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.629 HD21 ' HA3' ' A' ' 7' ' ' GLY . 0.8 OUTLIER -107.16 117.35 33.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.35 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.518 HG21 ' HE2' ' A' ' 37' ' ' LYS . 39.9 mm -71.51 111.63 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.65 HD11 ' HB2' ' A' ' 46' ' ' GLU . 2.1 mt -99.39 -48.2 4.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.151 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.05 159.82 40.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.518 ' HE2' HG21 ' A' ' 34' ' ' ILE . 25.1 mttt -129.91 169.29 15.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 39' ' ' THR . 36.6 t30 -138.45 162.29 34.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.451 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 13.4 p -91.38 52.49 2.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 110.422 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.9 -41.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.02 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 145.16 -17.58 1.92 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.529 1.143 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -73.35 110.15 7.41 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 41.0 m0 -105.57 140.83 38.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 107.974 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.537 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 51.3 tt0 -105.35 94.29 5.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.47 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -124.76 -174.91 14.13 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.539 1.149 . . . . 0.0 111.023 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.65 ' HB2' HD11 ' A' ' 35' ' ' LEU . 15.8 tt0 -125.23 129.95 51.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 0.76 . . . . 0.0 110.31 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.672 ' CD2' ' HB3' ' A' ' 49' ' ' ALA . 0.4 OUTLIER -61.31 113.74 2.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.357 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -90.59 33.07 0.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.334 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.672 ' HB3' ' CD2' ' A' ' 47' ' ' LEU . . . -131.33 70.96 1.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.143 . . . . 0.0 109.34 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 177.61 157.74 0.38 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -137.86 49.05 0.86 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.3 ttmm -171.4 -51.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 0.751 . . . . 0.0 109.323 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.9 tptt -115.52 105.36 12.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.8 mmt85 -80.76 97.25 7.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.615 ' HB3' HD11 ' A' ' 24' ' ' LEU . 3.1 mp0 -62.61 132.64 53.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.346 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.7 129.65 12.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 109.245 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.414 ' CA ' ' HB2' ' A' ' 24' ' ' LEU . . . 179.47 -173.88 45.72 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.122 . . . . 0.0 110.999 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.537 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 86.4 m95 -97.69 119.12 35.7 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.626 ' HB2' HD11 ' A' ' 26' ' ' LEU . 7.7 p90 -128.03 155.94 77.03 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.458 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.3 Cg_endo -75.0 132.24 15.19 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.491 1.785 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 64' ' ' VAL . . . -72.4 -21.86 61.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.88 -12.98 28.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.023 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.458 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 8.9 m-70 -93.54 -22.99 18.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.587 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.46 HG12 HG22 ' A' ' 12' ' ' VAL . 1.6 m -115.06 176.0 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.3 pttt -138.88 129.69 26.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.4 mt -59.8 140.96 56.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 mt -100.96 13.78 34.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -120.8 86.7 0.4 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.539 1.149 . . . . 0.0 110.978 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -38.35 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.519 1.799 . . . . 0.0 111.027 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.6 t -149.14 -61.43 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.997 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.87 158.24 15.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.996 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -110.84 80.47 1.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 58.82 166.96 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 76' ' ' GLY . . . -134.61 151.69 51.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.5 m 63.75 -77.56 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.999 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 115.66 -162.82 12.4 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.536 1.147 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 152.68 41.35 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.52 1.8 . . . . 0.0 111.029 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.11 -56.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.998 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 58.0 m -67.5 120.45 13.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.003 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.535 1.147 . . . . 0.0 110.972 -179.99 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.2 p -88.96 100.01 12.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 0.766 . . . . 0.0 110.016 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.46 88.18 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.012 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.4 144.32 4.79 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.461 1.101 . . . . 0.0 111.026 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -92.95 127.81 38.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 0.765 . . . . 0.0 110.0 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.32 105.37 4.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.989 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.2 -178.39 35.33 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.445 1.091 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -74.02 115.72 13.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.584 HD13 ' O ' ' A' ' 32' ' ' ILE . 8.6 mm -92.84 143.44 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -124.69 136.25 53.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.416 ' HB3' HD21 ' A' ' 67' ' ' LEU . 21.7 tt0 -96.49 110.82 23.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.595 HG11 ' C ' ' A' ' 27' ' ' ALA . 97.0 t -56.55 134.69 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 73.8 p -115.23 -25.64 7.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.353 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.412 ' HB2' ' ND1' ' A' ' 63' ' ' HIS . 3.0 m -133.88 140.96 47.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.978 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.589 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -71.49 141.22 50.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.473 ' O ' ' N ' ' A' ' 26' ' ' LEU . 63.4 t80 -144.07 130.97 20.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 110.966 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.446 HG22 ' O ' ' A' ' 17' ' ' VAL . 0.1 OUTLIER -115.81 102.31 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.558 ' HB1' ' HB3' ' A' ' 23' ' ' GLN . . . -44.21 165.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.252 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.4 p -136.46 -45.81 0.61 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.983 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.499 ' HA3' ' NE2' ' A' ' 23' ' ' GLN . . . -63.22 -144.08 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.452 1.095 . . . . 0.0 111.037 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.35 -36.36 3.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 0.783 . . . . 0.0 110.031 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.5 mp0 -98.34 32.95 2.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.349 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.558 ' HB3' ' HB1' ' A' ' 18' ' ' ALA . 1.8 mt-30 -113.13 154.35 26.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.541 HD11 ' HB3' ' A' ' 55' ' ' GLN . 32.3 tp -125.68 132.29 52.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.7 p -76.43 143.96 40.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.976 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.605 HD11 ' HB2' ' A' ' 59' ' ' PHE . 12.9 mt -118.91 148.29 43.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.595 ' C ' HG11 ' A' ' 12' ' ' VAL . . . -132.58 143.04 47.09 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.589 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.06 114.47 4.03 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.476 1.777 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.41 18.47 8.57 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.451 1.095 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.548 ' OE1' ' HB3' ' A' ' 27' ' ' ALA . 37.7 mt-30 -115.49 -179.88 3.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 0.765 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.1 mt -135.7 134.85 39.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.295 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.584 ' O ' HD13 ' A' ' 9' ' ' ILE . 5.9 mt -128.1 152.11 35.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.667 HD23 HD21 ' A' ' 35' ' ' LEU . 6.9 tp -105.97 118.58 36.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 47.3 mm -71.62 116.98 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.667 HD21 HD23 ' A' ' 33' ' ' LEU . 3.8 mt -106.18 -53.19 2.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -125.37 146.51 49.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.9 mttp -123.07 167.65 13.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 109.342 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -136.24 164.79 27.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.9 t -94.06 19.44 9.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 110.388 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.9 m -117.72 -39.24 3.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 110.025 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 141.65 -14.95 2.68 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.443 1.089 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 89.4 m95 -76.96 125.96 30.18 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.975 -1.121 . . . . 0.0 107.975 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 40.4 m0 -117.16 142.99 46.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 108.007 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.525 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 47.7 tt0 -110.55 96.75 6.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.345 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.446 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -125.39 -177.21 14.81 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.124 . . . . 0.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.497 ' CG ' ' O ' ' A' ' 55' ' ' GLN . 4.0 tt0 -124.91 127.99 47.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 0.759 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.728 HD22 ' HB3' ' A' ' 49' ' ' ALA . 0.5 OUTLIER -58.2 126.77 28.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -91.14 29.28 1.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.31 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.728 ' HB3' HD22 ' A' ' 47' ' ' LEU . . . -130.46 164.8 24.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.1 mmt-85 58.23 106.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 110.341 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.46 165.0 50.35 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.483 1.114 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 70.91 -69.58 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 0.759 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.21 92.61 0.41 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -84.03 89.2 7.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.143 . . . . 0.0 110.281 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.541 ' HB3' HD11 ' A' ' 24' ' ' LEU . 1.4 mp0 -62.67 132.25 51.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.04 124.1 4.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -174.4 -166.47 32.46 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.525 1.141 . . . . 0.0 110.969 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.525 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 85.1 m95 -103.46 142.06 34.9 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.605 ' HB2' HD11 ' A' ' 26' ' ' LEU . 7.2 p90 -154.96 159.86 31.44 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 111.007 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 131.02 13.87 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.53 1.805 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.38 -17.43 62.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.9 m -67.16 -12.87 61.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 110.018 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.412 ' ND1' ' HB2' ' A' ' 14' ' ' SER . 4.6 m-70 -93.19 -12.07 31.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.572 1.17 . . . . 0.0 109.629 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.464 HG12 HG22 ' A' ' 12' ' ' VAL . 2.4 m -127.27 175.3 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.99 125.16 18.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.523 HD23 ' HA ' ' A' ' 66' ' ' LEU . 8.9 mt -60.05 133.3 55.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.416 HD21 ' HB3' ' A' ' 11' ' ' GLN . 8.5 mt -91.7 14.09 16.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.73 174.13 35.73 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.561 1.163 . . . . 0.0 111.03 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 109.6 2.96 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.49 1.784 . . . . 0.0 111.02 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.25 -63.13 1.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.007 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 43.59 80.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.978 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -55.56 116.46 2.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 110.306 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 54.4 mtm180 48.05 87.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 110.292 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -132.75 -57.67 0.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.19 92.15 2.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.012 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 100.2 118.48 4.22 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -52.13 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.529 1.805 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 78.1 p -174.52 152.16 1.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.991 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 84.6 p -179.34 120.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.027 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.568 1.167 . . . . 0.0 110.951 -179.981 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.9 p -102.77 98.39 8.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 0.75 . . . . 0.0 110.012 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -160.15 98.9 1.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.991 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.43 -173.28 19.15 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.0 t 59.28 81.26 0.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 0.748 . . . . 0.0 109.994 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.49 76.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.016 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.505 ' HA3' HD11 ' A' ' 33' ' ' LEU . . . -72.0 120.77 8.11 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.547 1.154 . . . . 0.0 111.016 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -73.87 122.3 22.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 0.769 . . . . 0.0 110.288 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.616 HD13 ' O ' ' A' ' 32' ' ' ILE . 11.0 mm -97.38 140.85 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -125.07 137.49 54.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -98.08 111.36 23.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.613 HG11 ' C ' ' A' ' 27' ' ' ALA . 86.6 t -55.54 134.53 19.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.8 p -114.86 -27.0 7.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.41 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.418 ' HB2' ' ND1' ' A' ' 63' ' ' HIS . 2.3 m -133.69 138.43 45.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 110.004 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.641 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -70.13 142.8 52.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.422 ' O ' ' N ' ' A' ' 26' ' ' LEU . 66.5 t80 -145.65 128.55 16.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.113 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.558 HG22 ' O ' ' A' ' 17' ' ' VAL . 0.1 OUTLIER -115.54 94.84 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.577 ' HB1' ' CB ' ' A' ' 23' ' ' GLN . . . -41.01 160.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -161.34 46.23 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.982 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -135.91 -112.53 1.2 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.453 1.096 . . . . 0.0 111.024 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.36 -64.91 0.63 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 0.748 . . . . 0.0 110.003 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.3 mp0 -100.17 49.34 0.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.577 ' CB ' ' HB1' ' A' ' 18' ' ' ALA . 1.3 mt-30 -116.14 148.38 40.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.44 HD11 ' HB3' ' A' ' 55' ' ' GLN . 25.7 tp -119.54 132.57 55.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.3 p -76.56 147.61 37.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.065 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.769 HD11 ' CD1' ' A' ' 59' ' ' PHE . 41.0 mt -118.51 156.84 28.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.613 ' C ' HG11 ' A' ' 12' ' ' VAL . . . -140.05 141.14 25.83 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.641 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.97 113.09 3.71 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.529 1.805 . . . . 0.0 111.019 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.8 22.69 6.2 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.467 1.105 . . . . 0.0 110.957 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -119.62 -179.96 4.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 0.741 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.2 mt -135.7 135.74 40.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.616 ' O ' HD13 ' A' ' 9' ' ' ILE . 5.7 mt -128.75 154.85 40.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.127 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.505 HD11 ' HA3' ' A' ' 7' ' ' GLY . 9.0 tp -109.03 115.85 30.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 41.6 mm -69.99 112.15 4.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.439 HD21 HD23 ' A' ' 33' ' ' LEU . 2.9 mt -99.04 -47.3 5.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.41 150.57 52.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.6 mttp -126.64 168.74 13.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -138.01 171.39 14.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 109.266 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.1 t -99.93 21.79 12.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.407 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.42 -39.94 2.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.987 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 141.53 -15.37 2.7 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.445 1.09 . . . . 0.0 110.952 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 83.7 m95 -77.94 126.31 30.64 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 40.0 m0 -116.81 141.63 47.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.168 . . . . 0.0 108.025 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.533 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 48.9 tt0 -108.53 96.07 6.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.451 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -126.22 -177.04 14.71 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.469 ' CG ' ' O ' ' A' ' 55' ' ' GLN . 2.8 tt0 -124.59 131.04 53.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 0.739 . . . . 0.0 110.34 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.72 HD22 ' HB3' ' A' ' 49' ' ' ALA . 0.9 OUTLIER -60.61 126.9 29.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.1 mm-40 -90.29 28.5 1.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.299 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.72 ' HB3' HD22 ' A' ' 47' ' ' LEU . . . -134.85 114.81 12.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.49 170.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 110.355 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 165.33 -150.39 18.09 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.09 -61.41 1.0 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 0.735 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -161.84 165.97 27.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.6 mmt-85 -40.0 109.07 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 110.257 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.469 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 3.1 mp0 -80.5 131.36 35.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.339 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.55 124.56 0.82 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -174.62 -168.08 34.87 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.519 1.137 . . . . 0.0 111.032 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.533 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 81.5 m95 -104.85 119.24 38.52 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.769 ' CD1' HD11 ' A' ' 26' ' ' LEU . 16.3 p90 -131.16 161.57 60.94 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.413 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.3 Cg_endo -75.0 129.2 12.12 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.54 1.811 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.91 -19.41 62.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.6 m -65.37 -10.64 34.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.993 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.418 ' ND1' ' HB2' ' A' ' 14' ' ' SER . 10.8 m-70 -97.02 -1.91 44.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.595 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.531 HG12 HG22 ' A' ' 12' ' ' VAL . 2.5 m -137.81 176.21 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.16 129.41 22.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.475 ' HA ' HD23 ' A' ' 66' ' ' LEU . 8.9 mt -61.45 135.3 57.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mt -91.32 13.94 15.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 54.51 -154.36 9.1 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 114.11 3.95 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.501 1.79 . . . . 0.0 110.962 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.7 t -143.89 -56.75 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.034 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.3 p -45.9 124.26 5.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.999 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -59.51 117.92 5.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.282 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 87.6 mtt-85 -80.59 116.93 20.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.107 . . . . 0.0 110.32 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -140.07 135.77 32.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.8 m -45.26 128.36 7.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.953 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -101.18 -171.4 28.47 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 139.4 24.21 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.493 1.786 . . . . 0.0 111.028 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 26.5 p -74.01 137.4 43.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 110.007 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.99 -58.51 3.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 O-C-N 124.459 1.1 . . . . 0.0 110.997 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.5 p -123.18 125.16 44.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 0.749 . . . . 0.0 110.016 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.4 p -106.96 156.94 18.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.028 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.8 -102.64 0.22 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.446 1.091 . . . . 0.0 110.996 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.0 m -114.5 -61.24 1.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 0.789 . . . . 0.0 110.003 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.2 t 64.38 126.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.035 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.475 ' HA3' HD21 ' A' ' 33' ' ' LEU . . . -105.34 -178.31 24.14 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -71.38 108.6 4.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 0.784 . . . . 0.0 110.301 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.493 HD13 ' O ' ' A' ' 32' ' ' ILE . 11.0 mm -88.85 141.61 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -127.83 129.89 47.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -94.65 121.19 35.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.664 HG11 ' C ' ' A' ' 27' ' ' ALA . 97.6 t -59.07 134.04 24.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.701 HG21 ' HB3' ' A' ' 65' ' ' LYS . 69.1 p -114.99 -11.16 12.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.423 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 m -157.92 136.85 11.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.038 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.681 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -64.91 148.69 50.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -138.61 157.08 46.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 84.6 t -128.05 108.19 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -40.85 153.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.264 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.65 -48.01 2.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 110.006 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.44 -137.73 3.22 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -119.58 -41.25 2.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 0.723 . . . . 0.0 110.031 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.411 ' O ' ' CA ' ' A' ' 57' ' ' GLY . 4.3 mp0 -81.24 -3.82 53.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.422 ' HA ' ' O ' ' A' ' 58' ' ' TRP . 8.5 mp0 -69.8 155.93 39.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 110.332 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.588 HD11 ' HB3' ' A' ' 55' ' ' GLN . 23.4 tp -123.65 130.97 53.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 55.1 p -75.94 129.26 36.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 109.988 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.708 HD21 ' CG ' ' A' ' 59' ' ' PHE . 12.4 mt -101.43 160.5 14.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.664 ' C ' HG11 ' A' ' 12' ' ' VAL . . . -146.18 143.04 18.36 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.681 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.99 112.47 3.57 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.492 1.785 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 107.36 27.28 5.34 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.649 ' OE1' ' HB3' ' A' ' 27' ' ' ALA . 46.3 mt-30 -127.33 162.49 26.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 110.312 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 53.1 mt -113.79 147.37 38.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.327 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.493 ' O ' HD13 ' A' ' 9' ' ' ILE . 6.1 mt -140.34 152.73 21.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.507 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 0.1 OUTLIER -108.89 114.04 27.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.589 HG21 ' HE3' ' A' ' 37' ' ' LYS . 46.0 mm -65.65 125.97 23.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.549 HD12 ' HA2' ' A' ' 45' ' ' GLY . 1.8 mt -117.61 -50.52 2.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.463 ' HB3' ' CZ2' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -125.49 145.74 49.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.589 ' HE3' HG21 ' A' ' 34' ' ' ILE . 4.6 mttp -132.35 151.89 51.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.435 ' OD1' ' N ' ' A' ' 39' ' ' THR . 37.5 t30 -124.89 165.42 18.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.435 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 20.2 p -87.99 51.31 2.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.402 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.422 ' HB2' ' ND2' ' A' ' 38' ' ' ASN . 0.5 OUTLIER -153.61 -41.53 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.979 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 144.43 -16.57 2.06 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.401 ' HA ' ' O ' ' A' ' 59' ' ' PHE . 94.5 m95 -70.45 112.0 6.41 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.408 ' O ' ' N ' ' A' ' 59' ' ' PHE . 46.5 m0 -115.04 142.48 46.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 107.958 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.613 ' HB2' ' CD2' ' A' ' 58' ' ' TRP . 3.1 tt0 -112.11 106.34 14.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.549 ' HA2' HD12 ' A' ' 35' ' ' LEU . . . -132.49 -177.12 14.72 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.498 1.124 . . . . 0.0 111.031 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.431 ' CG ' ' O ' ' A' ' 55' ' ' GLN . 10.4 tt0 -118.09 126.64 52.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 0.741 . . . . 0.0 110.289 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.71 ' CD2' ' HB3' ' A' ' 49' ' ' ALA . 0.4 OUTLIER -59.78 111.7 1.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -90.77 33.84 0.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.087 . . . . 0.0 110.3 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.71 ' HB3' ' CD2' ' A' ' 47' ' ' LEU . . . -129.83 150.11 51.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 58.7 156.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 110.292 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -133.63 109.41 0.81 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.482 1.114 . . . . 0.0 111.023 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -179.13 -53.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 0.771 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.93 113.88 18.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.568 1.168 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -61.34 94.67 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 110.243 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.588 ' HB3' HD11 ' A' ' 24' ' ' LEU . 6.1 mp0 -74.92 129.04 36.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 110.322 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -163.02 126.86 2.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.435 ' CA ' ' HB2' ' A' ' 24' ' ' LEU . . . 175.43 174.53 42.1 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.613 ' CD2' ' HB2' ' A' ' 44' ' ' GLN . 64.1 m95 -80.82 145.34 31.46 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.708 ' CG ' HD21 ' A' ' 26' ' ' LEU . 8.5 p90 -154.96 161.5 29.3 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 111.029 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.502 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.4 Cg_endo -74.95 129.72 12.65 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.529 1.805 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.465 ' HA ' HG22 ' A' ' 64' ' ' VAL . . . -70.57 -26.81 63.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 74.1 m -56.68 -18.38 12.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.001 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.502 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 50.1 m-70 -93.85 -2.37 53.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.605 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.465 HG22 ' HA ' ' A' ' 61' ' ' ALA . 1.3 m -132.92 175.05 12.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.701 ' HB3' HG21 ' A' ' 13' ' ' THR . 0.1 OUTLIER -142.53 122.93 13.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.153 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 66' ' ' LEU . 8.9 mt -59.14 132.47 54.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.42 HD12 HG22 ' A' ' 9' ' ' ILE . 28.9 mt -93.7 16.43 13.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.96 157.28 24.22 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -48.51 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.497 1.788 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.7 t -134.09 -53.33 0.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.989 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.7 t 70.94 -70.74 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.985 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 77.93 119.54 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.3 ptt180 -104.18 158.35 16.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.264 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.61 91.1 5.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 46.8 t -132.36 -58.06 0.94 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.968 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 169.99 95.35 0.1 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.477 1.111 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 162.79 36.56 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.503 1.791 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 61.4 p -178.7 161.43 1.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.004 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 10.7 t -157.62 157.3 33.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.996 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 -179.98 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.2 p -98.11 -53.74 3.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 0.792 . . . . 0.0 109.985 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.8 t 44.38 83.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.045 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.44 94.38 0.66 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.529 1.143 . . . . 0.0 110.965 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.5 t 73.78 -66.25 0.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 0.759 . . . . 0.0 109.99 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.1 m 62.97 91.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.979 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.86 152.53 23.6 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.48 1.112 . . . . 0.0 110.99 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.79 127.05 31.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 0.777 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.469 HD13 ' O ' ' A' ' 32' ' ' ILE . 5.7 mm -105.85 145.64 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -132.83 133.93 43.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.427 ' CB ' HD21 ' A' ' 67' ' ' LEU . 21.1 tt0 -94.53 115.78 28.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.692 HG11 ' C ' ' A' ' 27' ' ' ALA . 86.5 t -54.55 133.83 17.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.47 ' CG2' ' HB3' ' A' ' 65' ' ' LYS . 53.9 p -114.33 -21.23 10.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.383 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.419 ' HB2' ' ND1' ' A' ' 63' ' ' HIS . 1.7 m -143.5 137.77 28.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 110.015 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.571 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -66.89 138.76 57.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.467 ' O ' ' N ' ' A' ' 26' ' ' LEU . 68.7 t80 -142.89 130.88 21.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 111.032 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.535 HG22 ' O ' ' A' ' 17' ' ' VAL . 0.1 OUTLIER -115.56 97.58 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.662 ' HB1' ' CB ' ' A' ' 23' ' ' GLN . . . -44.69 167.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.8 p -126.34 -47.23 1.6 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 109.982 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.44 ' H ' ' NE2' ' A' ' 23' ' ' GLN . . . -63.59 -155.23 0.1 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.545 1.153 . . . . 0.0 111.027 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.4 m -111.65 -25.49 9.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 0.782 . . . . 0.0 109.952 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.445 ' O ' ' CA ' ' A' ' 57' ' ' GLY . 27.9 mp0 -92.56 -20.86 20.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.662 ' CB ' ' HB1' ' A' ' 18' ' ' ALA . 0.8 OUTLIER -66.19 153.27 42.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 110.273 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.586 HD11 ' HB3' ' A' ' 55' ' ' GLN . 24.1 tp -123.18 133.19 54.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.3 m -78.44 141.4 38.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.949 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.622 HD22 HD13 ' A' ' 32' ' ' ILE . 15.3 mt -114.68 146.49 40.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.692 ' C ' HG11 ' A' ' 12' ' ' VAL . . . -130.78 143.05 47.77 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.339 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.571 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -75.03 114.09 3.94 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.487 1.783 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.92 15.68 10.61 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.482 1.114 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.437 ' OE1' HD21 ' A' ' 47' ' ' LEU . 42.3 mt-30 -116.8 173.88 6.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 0.77 . . . . 0.0 110.276 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 44.0 mt -127.68 143.67 51.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.085 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.622 HD13 HD22 ' A' ' 26' ' ' LEU . 5.5 mt -134.58 143.65 37.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.251 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.451 HD23 ' C ' ' A' ' 33' ' ' LEU . 3.8 tt -101.16 113.8 27.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.992 HG21 ' HE3' ' A' ' 37' ' ' LYS . 39.0 mm -65.98 125.33 22.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.35 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.57 HD11 ' HB2' ' A' ' 46' ' ' GLU . 7.7 mt -112.14 -32.81 6.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.06 144.79 31.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.992 ' HE3' HG21 ' A' ' 34' ' ' ILE . 70.2 mttt -132.19 146.75 52.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.402 ' OD1' ' C ' ' A' ' 38' ' ' ASN . 37.4 p-10 -138.7 168.85 18.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.2 t -80.61 -32.87 36.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.412 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.39 -41.96 9.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.145 . . . . 0.0 110.016 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 124.14 -0.26 8.95 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 75.4 m95 -97.02 132.8 42.47 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.568 ' CD1' ' HG2' ' A' ' 37' ' ' LYS . 35.1 m0 -116.99 142.3 47.13 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.516 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 36.8 tt0 -113.39 101.46 9.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.421 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -131.09 -163.67 11.0 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.459 1.1 . . . . 0.0 110.98 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.57 ' HB2' HD11 ' A' ' 35' ' ' LEU . 0.7 OUTLIER -131.88 130.54 41.78 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.49 0.759 . . . . 0.0 110.281 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.652 ' CD2' ' HB3' ' A' ' 49' ' ' ALA . 0.3 OUTLIER -60.95 111.62 1.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -90.52 28.05 1.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.332 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.652 ' HB3' ' CD2' ' A' ' 47' ' ' LEU . . . -121.74 133.63 54.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 59.75 155.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.289 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -101.94 -134.43 8.43 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.552 1.158 . . . . 0.0 110.956 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 76.18 -58.28 0.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 0.766 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -148.0 145.12 28.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.415 1.072 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 68.8 mmt-85 -88.54 88.23 7.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.331 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.586 ' HB3' HD11 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -54.08 114.9 1.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.291 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.33 132.78 39.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.445 ' CA ' ' O ' ' A' ' 22' ' ' GLU . . . 175.44 -173.22 46.11 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.516 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 74.2 m95 -99.58 145.53 27.43 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.584 ' CD1' HD11 ' A' ' 26' ' ' LEU . 6.3 p90 -155.23 159.85 31.39 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 111.03 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 131.18 14.01 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.519 1.8 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.49 -14.15 61.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.5 t -71.57 -9.22 57.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.007 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.419 ' ND1' ' HB2' ' A' ' 14' ' ' SER . 6.5 m-70 -97.34 -16.97 20.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.576 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.516 ' CG1' HD13 ' A' ' 26' ' ' LEU . 2.4 m -120.13 173.17 6.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.47 ' HB3' ' CG2' ' A' ' 13' ' ' THR . 4.6 ttpt -139.48 125.71 20.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.499 ' HA ' HD23 ' A' ' 66' ' ' LEU . 8.7 mt -58.49 134.21 56.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.427 HD21 ' CB ' ' A' ' 11' ' ' GLN . 8.9 mt -89.94 13.57 14.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.18 154.77 4.51 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.551 1.157 . . . . 0.0 110.983 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 100.04 1.31 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.512 1.796 . . . . 0.0 111.019 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.4 m -154.42 -61.25 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.996 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 62.1 162.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.02 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.52 141.4 29.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -123.43 150.52 43.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -131.11 111.39 11.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.14 145.53 35.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.036 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -125.05 -164.29 11.84 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 128.94 11.87 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.489 1.783 . . . . 0.0 110.984 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 63.4 p -65.84 123.31 19.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.952 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.8 m 63.62 166.13 0.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.118 . . . . 0.0 110.006 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.13 . . . . 0.0 110.977 179.954 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t 62.99 90.96 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 0.769 . . . . 0.0 110.026 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.5 p -159.16 148.55 18.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.014 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.16 123.64 0.85 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.1 m -55.58 -64.58 0.8 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 0.766 . . . . 0.0 110.034 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.11 110.36 3.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.032 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.523 ' HA3' HD21 ' A' ' 33' ' ' LEU . . . 161.29 130.08 1.09 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.41 118.03 5.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 0.791 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.453 HD13 ' HA ' ' A' ' 9' ' ' ILE . 17.3 mm -98.99 141.46 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -128.58 135.52 49.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.273 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -98.11 118.32 34.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.312 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.58 HG11 ' C ' ' A' ' 27' ' ' ALA . 78.9 t -60.94 131.98 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 79.9 p -114.78 -21.77 10.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.4 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -140.0 128.85 23.31 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.132 . . . . 0.0 110.005 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.677 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -62.6 147.29 49.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -139.44 153.79 47.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 46.9 t -125.95 105.73 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -40.72 146.66 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.71 54.44 1.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.978 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -171.54 -138.93 2.65 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.482 1.114 . . . . 0.0 111.025 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.79 -39.12 2.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 0.749 . . . . 0.0 110.033 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -106.14 40.0 1.68 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 110.321 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.405 ' HA ' ' O ' ' A' ' 58' ' ' TRP . 2.5 mp0 -113.01 147.32 37.42 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 110.258 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.735 HD11 ' HB3' ' A' ' 55' ' ' GLN . 33.8 tp -119.0 129.81 55.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.3 p -71.91 134.48 46.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.994 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.729 HD11 ' HB2' ' A' ' 59' ' ' PHE . 11.2 mt -108.73 144.58 36.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.58 ' C ' HG11 ' A' ' 12' ' ' VAL . . . -130.63 142.8 46.83 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.677 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.0 111.81 3.41 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.454 1.765 . . . . 0.0 110.97 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.36 20.26 6.71 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.523 1.139 . . . . 0.0 111.023 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.507 ' OE1' ' HB3' ' A' ' 27' ' ' ALA . 37.4 mt-30 -117.65 -178.36 3.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 0.777 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 70.7 mt -134.49 145.99 49.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.506 HG21 ' CE2' ' A' ' 59' ' ' PHE . 5.7 mt -140.32 145.52 25.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.108 . . . . 0.0 109.346 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.523 HD21 ' HA3' ' A' ' 7' ' ' GLY . 0.6 OUTLIER -101.33 112.96 25.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.543 HG21 ' CE ' ' A' ' 37' ' ' LYS . 48.5 mm -65.21 123.24 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.4 HD11 ' HB2' ' A' ' 46' ' ' GLU . 9.1 mt -109.35 -56.72 2.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.96 143.83 50.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.543 ' CE ' HG21 ' A' ' 34' ' ' ILE . 8.0 mttt -125.28 170.07 11.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.598 HD21 ' N ' ' A' ' 42' ' ' TRP . 0.5 OUTLIER -146.37 -173.08 4.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.7 p -112.51 36.68 3.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.402 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.493 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 0.2 OUTLIER -131.05 -40.96 1.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.027 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.44 ' O ' ' HA ' ' A' ' 60' ' ' PRO . . . 134.49 -8.14 4.64 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.486 1.116 . . . . 0.0 110.966 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.598 ' N ' HD21 ' A' ' 38' ' ' ASN . 93.3 m95 -85.67 96.71 9.78 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.552 ' CD2' ' HB2' ' A' ' 61' ' ' ALA . 38.1 m0 -92.53 140.47 29.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 108.003 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.52 ' HB2' ' CD2' ' A' ' 58' ' ' TRP . 28.3 tt0 -108.87 102.53 11.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -137.92 -174.74 13.52 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.531 1.145 . . . . 0.0 111.034 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.515 ' CG ' ' HB2' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -118.32 152.43 35.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 0.791 . . . . 0.0 110.328 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.629 ' CD2' ' HB3' ' A' ' 49' ' ' ALA . 0.3 OUTLIER -81.94 112.84 19.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.093 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -90.38 25.63 2.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.255 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.629 ' HB3' ' CD2' ' A' ' 47' ' ' LEU . . . -114.46 61.49 0.67 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 50.85 179.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.286 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 131.66 108.52 1.18 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 0.0 111.025 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt -42.54 -53.97 4.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 0.79 . . . . 0.0 109.295 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.7 108.83 20.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.49 124.17 1.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.308 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.735 ' HB3' HD11 ' A' ' 24' ' ' LEU . 41.0 mt-30 -96.15 94.5 7.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.515 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . 3.2 tptm -134.33 126.38 29.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -168.1 -179.12 40.41 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.48 1.112 . . . . 0.0 110.949 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.52 ' CD2' ' HB2' ' A' ' 44' ' ' GLN . 75.3 m95 -92.4 117.97 30.46 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.729 ' HB2' HD11 ' A' ' 26' ' ' LEU . 14.6 p90 -130.12 160.12 66.99 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.5 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.3 Cg_endo -75.06 130.26 13.05 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.485 1.781 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.552 ' HB2' ' CD2' ' A' ' 43' ' ' TRP . . . -71.17 -16.41 62.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.9 m -69.77 -8.63 49.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.994 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.5 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 9.2 m-70 -98.09 -15.67 19.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.612 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.562 HG12 HG22 ' A' ' 12' ' ' VAL . 2.3 m -125.69 173.48 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.573 1.171 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -136.57 133.89 36.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.461 ' HA ' HD23 ' A' ' 66' ' ' LEU . 7.9 mt -67.92 134.3 50.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.8 mt -87.21 12.04 12.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -125.46 80.8 0.36 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.515 1.135 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -37.86 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.504 1.791 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -173.9 85.76 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.035 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.3 t -83.73 125.78 32.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.003 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -129.63 92.22 3.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.333 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 1.9 mtp-105 58.8 87.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.347 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.09 96.52 0.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 39.71 90.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.008 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -76.61 -83.81 0.48 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.437 1.085 . . . . 0.0 111.034 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 134.81 18.2 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.505 1.792 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.76 -61.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.994 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.01 81.52 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.003 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.12 . . . . 0.0 111.031 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.92 -58.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 0.774 . . . . 0.0 110.027 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.3 p -91.71 110.88 22.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.973 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.67 59.67 2.61 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.3 t -178.24 102.85 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 0.777 . . . . 0.0 110.012 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.61 79.01 1.8 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.039 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.4 171.79 44.84 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.559 1.162 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -76.06 124.51 27.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 0.792 . . . . 0.0 110.284 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.562 HD13 ' O ' ' A' ' 32' ' ' ILE . 12.5 mm -100.1 146.29 9.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -133.02 133.89 43.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 109.253 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.543 ' CB ' HD21 ' A' ' 67' ' ' LEU . 15.0 tt0 -94.48 117.25 29.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.271 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.65 HG11 ' C ' ' A' ' 27' ' ' ALA . 88.9 t -57.67 134.07 22.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.451 ' CG2' ' HB3' ' A' ' 65' ' ' LYS . 63.4 p -114.74 -20.39 10.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.433 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.2 m -143.59 136.26 27.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.053 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.619 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -66.7 145.57 55.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.484 ' O ' ' N ' ' A' ' 26' ' ' LEU . 75.1 t80 -149.46 130.8 14.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -112.88 111.15 34.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.17 158.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.3 p -156.3 40.29 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.979 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -147.58 -145.54 4.19 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.518 1.136 . . . . 0.0 110.977 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.05 -29.58 7.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 0.757 . . . . 0.0 109.995 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.98 53.11 1.52 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -128.0 143.23 51.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.286 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.54 HD11 ' HB3' ' A' ' 55' ' ' GLN . 33.3 tp -116.14 130.74 56.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 55.9 p -74.88 141.03 44.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.16 . . . . 0.0 110.0 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.725 HD21 ' CG ' ' A' ' 59' ' ' PHE . 14.4 mt -112.1 152.93 27.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.65 ' C ' HG11 ' A' ' 12' ' ' VAL . . . -138.57 140.35 27.53 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.619 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.96 114.07 3.94 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.547 1.814 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.07 20.76 7.37 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.424 ' OE1' ' HB3' ' A' ' 27' ' ' ALA . 25.5 mt-30 -119.0 177.76 4.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 0.0 110.314 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 85.6 mt -131.59 138.66 48.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.313 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.562 ' O ' HD13 ' A' ' 9' ' ' ILE . 5.6 mt -131.23 152.38 37.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.43 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 11.1 tp -108.89 118.05 35.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.167 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 30.8 mm -70.65 124.5 26.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.9 -47.46 3.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.84 147.69 51.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -127.46 132.24 50.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.437 ' OD1' ' N ' ' A' ' 39' ' ' THR . 51.0 t-20 -98.46 155.88 17.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.437 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 7.7 t -82.26 4.01 25.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.4 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.414 ' HB2' ' ND2' ' A' ' 38' ' ' ASN . 0.4 OUTLIER -98.26 -31.65 11.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.021 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 132.94 -13.34 5.01 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.484 1.115 . . . . 0.0 110.966 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.431 ' HH2' ' HH ' ' A' ' 16' ' ' TYR . 80.8 m95 -79.08 129.5 34.52 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 43.0 m0 -114.87 141.54 47.78 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 108.011 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.527 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 49.9 tt0 -108.45 95.27 5.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.43 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -122.65 -179.75 15.94 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.529 1.143 . . . . 0.0 111.019 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.489 ' CG ' ' O ' ' A' ' 55' ' ' GLN . 3.0 tt0 -126.12 121.85 34.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 0.754 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.551 ' CD2' ' HB3' ' A' ' 49' ' ' ALA . 0.4 OUTLIER -51.09 126.54 16.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.6 mm-40 -90.7 29.55 1.3 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 110.335 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.551 ' HB3' ' CD2' ' A' ' 47' ' ' LEU . . . -137.74 110.13 7.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.0 mtt85 -41.77 141.1 0.87 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.443 ' O ' ' CB ' ' A' ' 52' ' ' LYS . . . -168.37 66.94 0.18 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.455 1.097 . . . . 0.0 111.019 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.443 ' CB ' ' O ' ' A' ' 51' ' ' GLY . 1.0 OUTLIER 83.63 -65.65 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 0.739 . . . . 0.0 109.326 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.0 tptt -142.33 147.26 36.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -45.94 105.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.276 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.54 ' HB3' HD11 ' A' ' 24' ' ' LEU . 0.8 OUTLIER -66.01 137.57 57.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.271 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -166.39 125.19 1.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -175.47 -174.56 42.16 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.482 1.114 . . . . 0.0 111.014 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.527 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 85.1 m95 -99.67 114.61 27.81 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.725 ' CG ' HD21 ' A' ' 26' ' ' LEU . 12.3 p90 -122.93 160.83 47.63 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.469 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.1 Cg_endo -75.01 129.94 12.8 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.485 1.782 . . . . 0.0 110.999 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.16 -19.51 62.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 109.292 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.0 m -65.29 -10.88 36.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.962 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.469 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 10.7 m-70 -95.94 -21.93 17.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.595 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.6 m -114.25 172.75 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.271 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.451 ' HB3' ' CG2' ' A' ' 13' ' ' THR . 0.8 OUTLIER -143.4 125.4 15.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.552 HD13 ' HB3' ' A' ' 69' ' ' PRO . 8.6 mt -54.69 134.12 47.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.543 HD21 ' CB ' ' A' ' 11' ' ' GLN . 9.6 mt -90.66 14.75 12.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 125.96 100.9 1.23 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.536 1.148 . . . . 0.0 110.955 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.552 ' HB3' HD13 ' A' ' 66' ' ' LEU . 18.4 Cg_endo -75.0 175.33 11.38 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.455 1.766 . . . . 0.0 111.035 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.7 t -148.58 133.19 17.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 109.993 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.3 t -140.71 164.06 31.22 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.438 1.086 . . . . 0.0 109.976 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.54 78.28 5.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 23.8 mmt85 51.28 96.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 110.328 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -117.62 133.51 55.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.5 m -116.78 -55.63 2.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 0.0 110.017 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 100.13 156.31 28.03 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 175.11 11.67 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.492 1.785 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.6 m -134.78 123.22 23.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.0 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.8 m -75.01 157.96 34.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.993 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 179.983 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.4 m -84.31 89.15 7.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 0.75 . . . . 0.0 110.035 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.77 -57.76 2.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.977 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.4 -156.34 20.39 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.537 1.148 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.9 p -175.15 157.46 2.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 0.788 . . . . 0.0 110.013 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.3 149.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.036 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.55 170.47 22.21 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -81.52 115.4 20.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 0.765 . . . . 0.0 110.299 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.582 HD13 ' O ' ' A' ' 32' ' ' ILE . 10.6 mm -88.19 140.86 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -124.82 139.8 53.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.421 ' O ' HG23 ' A' ' 13' ' ' THR . 21.7 tt0 -101.2 117.7 35.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.282 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.598 HG11 ' C ' ' A' ' 27' ' ' ALA . 87.3 t -60.22 127.41 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 11' ' ' GLN . 55.0 p -111.89 -9.57 14.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 0.0 110.381 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -155.14 132.79 11.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 110.007 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.663 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -63.34 147.72 50.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.481 ' HH ' ' HH2' ' A' ' 42' ' ' TRP . 57.3 t80 -138.71 156.2 47.6 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.516 1.135 . . . . 0.0 110.946 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 57.2 t -125.0 109.23 21.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.483 ' HB1' ' HB3' ' A' ' 23' ' ' GLN . . . -42.08 162.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.08 -51.07 2.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.99 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 22' ' ' GLU . . . 161.75 -43.18 0.38 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.507 1.13 . . . . 0.0 110.98 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.409 ' C ' ' N ' ' A' ' 23' ' ' GLN . 0.0 OUTLIER -63.11 77.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.755 . . . . 0.0 109.976 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 20' ' ' GLY . 1.7 tt0 41.57 27.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.328 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.483 ' HB3' ' HB1' ' A' ' 18' ' ' ALA . 2.2 mp0 -62.32 172.73 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.566 HD11 ' HB3' ' A' ' 55' ' ' GLN . 9.9 tp -139.73 126.43 20.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.15 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.471 ' N ' HD12 ' A' ' 24' ' ' LEU . 10.6 m -74.92 123.46 25.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 110.022 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.866 HD11 ' HB2' ' A' ' 59' ' ' PHE . 9.0 mt -103.83 148.54 26.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.785 ' HB3' HE21 ' A' ' 30' ' ' GLN . . . -132.26 144.32 52.57 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.663 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.05 111.62 3.37 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.512 1.796 . . . . 0.0 111.003 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.69 19.97 7.12 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.785 HE21 ' HB3' ' A' ' 27' ' ' ALA . 13.0 mt-30 -118.53 169.73 9.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 110.268 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 81.4 mt -122.46 142.14 50.88 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.808 HG13 HD12 ' A' ' 47' ' ' LEU . 6.9 mt -135.23 153.6 34.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.452 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 6.8 tp -110.73 115.6 29.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.938 HG21 ' HE3' ' A' ' 37' ' ' LYS . 38.7 mm -67.43 123.15 19.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.578 HD12 ' HA2' ' A' ' 45' ' ' GLY . 1.0 OUTLIER -111.26 -33.91 6.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 109.275 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -147.13 153.69 40.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.938 ' HE3' HG21 ' A' ' 34' ' ' ILE . 13.3 mttp -129.08 163.0 26.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -138.56 152.57 48.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.158 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 41.1 p -68.03 -32.38 72.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.431 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.5 t -62.12 -45.36 93.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.032 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 140.68 -13.18 2.93 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.481 ' HH2' ' HH ' ' A' ' 16' ' ' TYR . 98.5 m95 -73.21 127.17 31.84 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.592 ' CD2' ' HB2' ' A' ' 61' ' ' ALA . 42.9 m0 -115.26 142.99 45.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 108.044 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.524 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 46.3 tt0 -111.88 97.97 7.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 110.262 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.578 ' HA2' HD12 ' A' ' 35' ' ' LEU . . . -131.42 -172.47 13.1 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.458 1.099 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.448 ' HB2' HD11 ' A' ' 35' ' ' LEU . 1.6 tt0 -128.3 134.59 48.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 0.792 . . . . 0.0 110.329 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.808 HD12 HG13 ' A' ' 32' ' ' ILE . 7.7 tp -69.93 140.5 53.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -110.95 66.07 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.281 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -151.14 161.95 41.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.03 132.43 47.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.27 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -171.2 168.11 41.25 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -45.17 -61.47 1.63 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 0.745 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -135.12 135.95 41.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.0 mtt85 -41.95 104.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.27 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.566 ' HB3' HD11 ' A' ' 24' ' ' LEU . 1.7 mp0 -56.43 129.8 42.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.69 128.65 8.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.31 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.412 ' CA ' ' HB2' ' A' ' 24' ' ' LEU . . . 176.77 -171.12 44.04 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.54 1.15 . . . . 0.0 111.008 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.524 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 82.0 m95 -94.4 138.36 32.44 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.866 ' HB2' HD11 ' A' ' 26' ' ' LEU . 5.9 p90 -151.04 158.51 34.71 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.437 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.4 Cg_endo -74.98 131.72 14.64 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.497 1.788 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.592 ' HB2' ' CD2' ' A' ' 43' ' ' TRP . . . -73.17 -12.07 60.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -72.39 -13.5 61.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.993 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.437 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 8.2 m-70 -92.77 -20.46 20.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.57 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.417 HG12 HG22 ' A' ' 12' ' ' VAL . 2.4 m -119.94 175.39 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -136.96 132.69 34.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.449 ' HA ' HD23 ' A' ' 66' ' ' LEU . 8.3 mt -67.14 134.13 51.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.8 mt -93.47 13.65 21.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.62 -165.83 36.1 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.512 1.132 . . . . 0.0 110.961 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 141.21 26.25 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.48 1.779 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.6 t -126.42 86.18 2.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.019 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 38.7 t -110.32 140.46 44.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.023 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.7 115.42 3.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.261 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 67.4 mtt180 -128.16 124.94 38.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.423 1.077 . . . . 0.0 110.309 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -123.96 149.77 45.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.94 134.84 0.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.036 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.36 146.31 49.75 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 175.74 10.83 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.525 1.803 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 73.4 m -153.16 157.96 41.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.956 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 60.7 p -162.52 166.62 24.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.993 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.47 1.106 . . . . 0.0 110.966 179.959 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.5 m 61.61 117.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 0.735 . . . . 0.0 110.03 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -158.35 -57.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.018 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.05 96.77 0.28 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.542 1.151 . . . . 0.0 111.028 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.5 -62.58 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 0.739 . . . . 0.0 109.998 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.26 95.55 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.935 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.94 146.58 6.35 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -71.89 119.11 15.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 0.77 . . . . 0.0 110.26 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.453 HD13 ' HA ' ' A' ' 9' ' ' ILE . 10.7 mm -92.39 144.06 10.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -134.86 130.22 35.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.423 ' CB ' HD21 ' A' ' 67' ' ' LEU . 26.3 tt0 -93.56 121.22 34.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.662 HG11 ' C ' ' A' ' 27' ' ' ALA . 99.8 t -58.26 136.29 21.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.464 ' CG2' ' HB3' ' A' ' 65' ' ' LYS . 63.0 p -115.2 -28.31 6.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.374 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -140.12 133.08 29.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.039 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.682 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -61.97 142.22 57.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -132.93 155.43 49.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 111.028 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 52.4 t -129.71 108.51 16.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.466 ' HB1' ' HB3' ' A' ' 23' ' ' GLN . . . -58.72 177.42 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.72 -46.96 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.095 . . . . 0.0 109.968 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.11 -160.03 0.35 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.87 -22.14 13.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 0.762 . . . . 0.0 109.995 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.5 41.27 2.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.466 ' HB3' ' HB1' ' A' ' 18' ' ' ALA . 47.2 mt-30 -115.44 152.48 32.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.266 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.559 HD11 ' HB3' ' A' ' 55' ' ' GLN . 23.2 tp -124.5 129.4 50.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 86.6 p -73.6 132.07 42.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.989 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.817 HD11 ' HB2' ' A' ' 59' ' ' PHE . 10.7 mt -110.84 150.15 29.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.662 ' C ' HG11 ' A' ' 12' ' ' VAL . . . -135.59 145.76 54.65 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.682 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.97 110.82 3.19 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.47 1.774 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 120.09 -4.09 12.69 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.631 ' O ' HG23 ' A' ' 12' ' ' VAL . 17.7 mt-30 -109.73 150.02 28.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.746 . . . . 0.0 110.307 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.63 ' N ' HD23 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -106.74 153.89 21.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.783 HD13 HD22 ' A' ' 26' ' ' LEU . 4.4 mt -136.45 136.74 48.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.496 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 5.7 tp -87.98 115.04 25.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 33.7 mm -67.94 132.09 32.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.582 1.176 . . . . 0.0 109.283 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.404 ' HG ' ' HA2' ' A' ' 45' ' ' GLY . 0.8 OUTLIER -114.72 -42.21 3.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -138.95 166.03 25.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 48.1 mttt -133.01 156.05 48.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.436 ' OD1' ' CB ' ' A' ' 40' ' ' SER . 18.2 t-20 -128.56 159.27 36.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.9 p -80.34 -22.78 41.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 110.404 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.436 ' CB ' ' OD1' ' A' ' 38' ' ' ASN . 7.3 m -76.43 -27.67 56.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.021 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 122.42 -1.08 10.43 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.507 1.13 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.406 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 91.0 m95 -81.68 121.05 25.89 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 40.0 m0 -109.29 142.74 39.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 108.002 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.565 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 40.1 tt0 -110.93 98.65 7.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.31 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.496 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -126.34 -171.26 13.1 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.483 1.114 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -130.87 127.08 37.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 0.785 . . . . 0.0 110.307 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.452 ' HA ' ' CG1' ' A' ' 32' ' ' ILE . 1.0 OUTLIER -50.06 128.86 19.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -89.67 27.0 1.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.304 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -170.31 -174.6 1.74 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 61.58 117.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.322 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.47 135.14 12.04 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.445 1.091 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -173.29 -60.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 0.809 . . . . 0.0 109.326 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -170.27 56.22 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 38.73 85.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.113 . . . . 0.0 110.268 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.559 ' HB3' HD11 ' A' ' 24' ' ' LEU . 0.9 OUTLIER -54.23 127.76 28.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 110.262 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -157.45 123.75 4.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -173.86 -175.67 41.71 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.474 1.109 . . . . 0.0 110.989 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.565 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 86.2 m95 -99.58 129.03 45.7 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.817 ' HB2' HD11 ' A' ' 26' ' ' LEU . 5.7 p90 -138.8 160.85 61.38 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.466 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.3 Cg_endo -74.99 131.44 14.31 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.516 1.798 . . . . 0.0 111.017 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.472 ' HA ' HG22 ' A' ' 64' ' ' VAL . . . -70.93 -17.45 62.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.9 -10.42 53.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.006 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.466 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 8.6 m-70 -96.95 -25.02 15.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.598 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.472 HG22 ' HA ' ' A' ' 61' ' ' ALA . 2.5 m -111.85 175.35 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.464 ' HB3' ' CG2' ' A' ' 13' ' ' THR . 0.6 OUTLIER -142.01 125.87 17.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 66' ' ' LEU . 8.6 mt -61.92 133.47 55.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.423 HD21 ' CB ' ' A' ' 11' ' ' GLN . 19.1 mt -89.01 14.78 9.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.424 1.078 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 56.2 -155.57 12.93 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.507 1.129 . . . . 0.0 111.048 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 131.36 14.18 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.478 1.778 . . . . 0.0 111.005 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.5 p -140.95 -51.11 0.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.133 . . . . 0.0 110.021 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 95.7 p -56.45 111.18 0.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.016 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -124.75 125.47 44.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.5 mmt-85 -132.99 128.74 37.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.27 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.73 88.53 5.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 109.266 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.5 t -153.33 136.62 15.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.996 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -38.97 145.44 0.21 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.437 1.086 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -50.33 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.445 1.761 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 25.8 m 62.16 166.07 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.027 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 66.6 m -98.73 120.83 39.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.988 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 -179.992 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.1 147.62 6.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 0.759 . . . . 0.0 109.978 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.27 118.47 36.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.119 . . . . 0.0 110.004 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.19 149.11 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.522 1.139 . . . . 0.0 111.031 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.6 m -157.81 73.32 0.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.764 . . . . 0.0 110.013 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.35 71.3 0.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.979 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.716 ' HA3' HD21 ' A' ' 33' ' ' LEU . . . -92.21 156.71 23.65 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -90.11 126.18 35.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 0.756 . . . . 0.0 110.308 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.2 mm -90.99 146.64 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -129.79 132.01 46.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.432 ' HB2' HD11 ' A' ' 67' ' ' LEU . 1.9 tt0 -97.15 120.14 36.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.66 HG11 ' C ' ' A' ' 27' ' ' ALA . 85.2 t -56.78 133.62 21.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.45 ' CG2' ' HB3' ' A' ' 65' ' ' LYS . 71.5 p -117.08 -10.76 10.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.411 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -155.8 131.85 10.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.972 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.611 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -64.29 143.39 57.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -132.91 154.17 50.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 44.1 t -127.12 101.01 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.422 ' HB1' ' HB2' ' A' ' 23' ' ' GLN . . . -59.73 141.94 54.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.491 ' H ' ' NE2' ' A' ' 23' ' ' GLN . 1.1 t -82.51 -60.58 2.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.987 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 150.79 91.1 0.08 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.561 1.163 . . . . 0.0 111.005 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.461 ' CB ' ' OE1' ' A' ' 23' ' ' GLN . 0.1 OUTLIER 173.2 59.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 0.774 . . . . 0.0 109.985 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 58' ' ' TRP . 0.6 OUTLIER 68.33 18.31 9.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.304 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.491 ' NE2' ' H ' ' A' ' 19' ' ' SER . 3.4 mt-30 -86.02 162.92 18.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.611 HD23 ' HD2' ' A' ' 59' ' ' PHE . 7.4 tp -129.62 132.3 46.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.417 ' N ' HD12 ' A' ' 24' ' ' LEU . 7.2 p -76.64 136.97 39.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.953 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.687 HD11 ' HB2' ' A' ' 59' ' ' PHE . 17.5 mt -111.76 146.7 37.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.66 ' C ' HG11 ' A' ' 12' ' ' VAL . . . -132.4 141.77 42.49 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.611 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.98 114.75 4.1 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.446 1.761 . . . . 0.0 110.974 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.35 19.17 8.12 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 0.0 110.94 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.803 ' HB3' HD11 ' A' ' 47' ' ' LEU . 36.7 mt-30 -118.65 178.9 4.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 0.755 . . . . 0.0 110.267 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.8 mt -132.98 138.56 46.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.265 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.893 HG13 HD12 ' A' ' 47' ' ' LEU . 8.7 mt -134.73 140.07 46.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.716 HD21 ' HA3' ' A' ' 7' ' ' GLY . 3.1 tm? -95.07 129.61 42.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.4 mm -79.34 116.39 23.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.617 ' CD2' HD12 ' A' ' 33' ' ' LEU . 0.6 OUTLIER -102.89 -54.73 2.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -127.79 153.58 46.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.8 mttp -126.09 169.03 13.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.329 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -143.47 150.48 39.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.569 HG23 ' O ' ' A' ' 39' ' ' THR . 12.9 t -83.83 52.41 2.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.409 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.62 -46.07 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.002 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.93 -19.36 1.42 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.496 1.122 . . . . 0.0 110.963 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 89.4 m95 -79.55 126.62 31.11 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.552 ' CD2' ' HB2' ' A' ' 61' ' ' ALA . 38.9 m0 -117.49 141.08 48.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 108.004 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.528 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 47.4 tt0 -104.67 95.64 6.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.563 ' HA2' HD12 ' A' ' 35' ' ' LEU . . . -128.23 -173.05 13.34 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.52 1.137 . . . . 0.0 110.975 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -132.69 132.86 42.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 110.303 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.893 HD12 HG13 ' A' ' 32' ' ' ILE . 10.0 tp -65.45 137.81 57.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 93.5 mm-40 -106.4 60.59 0.64 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -138.03 142.86 40.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.9 mtt-85 -64.36 115.59 5.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -147.72 -159.79 8.58 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.472 1.107 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -88.64 -59.76 2.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 0.755 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.64 119.41 36.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.7 mtt180 -48.59 99.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.537 ' HB3' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -53.09 117.6 3.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.087 . . . . 0.0 110.3 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.19 127.92 11.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.426 ' N ' ' HB2' ' A' ' 24' ' ' LEU . . . -179.34 -166.02 34.47 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.521 1.138 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.528 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 87.1 m95 -100.29 120.35 39.79 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.687 ' HB2' HD11 ' A' ' 26' ' ' LEU . 5.9 p90 -132.52 158.67 75.07 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.14 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.428 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.2 Cg_endo -75.06 132.27 15.16 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.481 1.779 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.552 ' HB2' ' CD2' ' A' ' 43' ' ' TRP . . . -71.32 -15.77 62.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.18 -23.43 64.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 110.034 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.428 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 14.5 m-70 -86.08 -13.05 48.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.597 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.478 HG22 ' HA ' ' A' ' 61' ' ' ALA . 1.4 m -122.81 175.66 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.45 ' HB3' ' CG2' ' A' ' 13' ' ' THR . 0.1 OUTLIER -143.34 122.35 12.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.524 HD23 ' HA ' ' A' ' 66' ' ' LEU . 8.9 mt -59.94 133.11 55.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.432 HD11 ' HB2' ' A' ' 11' ' ' GLN . 28.3 mt -93.97 16.04 15.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 39.47 -144.74 0.32 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.45 1.094 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 126.69 10.12 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.476 1.777 . . . . 0.0 111.023 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 43.2 t -117.07 -59.56 1.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.003 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 68.8 m 58.88 171.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.118 . . . . 0.0 110.018 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 66.78 102.8 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.288 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -68.36 161.07 28.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.277 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -140.05 152.98 46.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.0 t 71.14 -65.73 0.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.023 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 124.37 114.15 2.06 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.128 . . . . 0.0 111.037 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 129.17 12.1 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.476 1.777 . . . . 0.0 111.016 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 49.6 p -152.22 156.79 40.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.978 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.7 t -120.23 154.2 35.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.999 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.48 1.112 . . . . 0.0 110.976 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.02 149.8 48.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 0.781 . . . . 0.0 110.021 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.0 t -122.17 -58.58 1.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.007 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.91 -118.78 3.41 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.6 t -176.26 90.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 0.782 . . . . 0.0 110.026 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.9 m -95.58 -56.99 2.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 110.002 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.568 ' HA3' HD11 ' A' ' 33' ' ' LEU . . . -124.29 139.57 12.01 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.56 107.07 4.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 0.735 . . . . 0.0 110.326 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.9 mm -80.67 145.86 8.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -123.86 146.33 48.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.349 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -108.32 111.11 22.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 110.292 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.566 HG11 ' C ' ' A' ' 27' ' ' ALA . 86.7 t -55.72 131.52 18.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.317 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.457 HG21 ' HB3' ' A' ' 65' ' ' LYS . 69.2 p -115.98 -14.9 11.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.39 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.98 128.91 15.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.018 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.662 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -62.89 145.34 55.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -138.11 151.11 47.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 111.021 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 55.6 t -125.99 101.75 8.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.1 147.69 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.3 m -88.81 -57.28 2.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.996 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 148.89 75.91 0.02 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.466 1.104 . . . . 0.0 111.032 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 176.4 77.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 0.753 . . . . 0.0 109.955 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.412 ' OE1' ' NZ ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER 52.52 32.87 12.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.321 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.41 ' HA ' ' O ' ' A' ' 58' ' ' TRP . 71.1 mt-30 -95.8 161.41 14.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.081 . . . . 0.0 110.316 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.66 HD11 ' HB3' ' A' ' 55' ' ' GLN . 10.3 tp -130.15 129.24 43.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.472 ' N ' HD12 ' A' ' 24' ' ' LEU . 21.2 m -71.46 138.15 48.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.0 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.83 HD11 ' HB2' ' A' ' 59' ' ' PHE . 12.8 mt -118.27 142.34 47.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.759 ' HB3' HE21 ' A' ' 30' ' ' GLN . . . -128.59 144.76 53.4 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.662 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.97 111.84 3.42 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.524 1.802 . . . . 0.0 111.027 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 113.0 17.33 7.9 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.496 1.122 . . . . 0.0 110.992 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.759 HE21 ' HB3' ' A' ' 27' ' ' ALA . 12.0 mt-30 -114.52 175.67 5.38 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 0.732 . . . . 0.0 110.304 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.0 mt -131.55 141.61 49.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.851 HG13 HD12 ' A' ' 47' ' ' LEU . 6.6 mt -135.52 149.9 28.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.568 HD11 ' HA3' ' A' ' 7' ' ' GLY . 5.5 tp -104.07 115.95 31.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.802 HG21 ' HE2' ' A' ' 37' ' ' LYS . 51.1 mm -67.47 122.87 19.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.578 HD12 ' HA2' ' A' ' 45' ' ' GLY . 8.0 mt -107.14 -50.38 3.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.62 158.19 43.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.802 ' HE2' HG21 ' A' ' 34' ' ' ILE . 72.0 mttt -129.01 167.89 16.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.44 ' OD1' ' N ' ' A' ' 39' ' ' THR . 35.6 t30 -138.7 163.1 33.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.44 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 3.4 p -93.25 43.89 1.13 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 110.428 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.408 ' HB2' ' ND2' ' A' ' 38' ' ' ASN . 37.8 m -143.13 -42.63 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.035 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 145.1 -15.96 1.92 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.558 1.161 . . . . 0.0 111.0 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -76.93 123.35 26.17 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.563 ' CD2' ' HB2' ' A' ' 61' ' ' ALA . 38.5 m0 -115.97 143.18 45.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 107.987 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.476 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 29.4 tt0 -108.97 110.95 22.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.133 . . . . 0.0 110.272 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.578 ' HA2' HD12 ' A' ' 35' ' ' LEU . . . -152.4 -178.84 27.47 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.561 1.163 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.416 ' O ' ' HA ' ' A' ' 32' ' ' ILE . 4.9 tm-20 -117.76 154.55 31.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 0.761 . . . . 0.0 110.327 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.851 HD12 HG13 ' A' ' 32' ' ' ILE . 10.3 tp -85.86 138.67 31.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 52.3 mm-40 -110.56 64.27 0.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -170.17 62.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.346 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 54.07 173.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 159.89 160.36 10.47 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.535 1.147 . . . . 0.0 110.98 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.0 -56.29 8.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.7 pttt -149.57 77.32 1.34 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.9 mtm180 38.69 88.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.66 ' HB3' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -53.39 103.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.266 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.475 ' HA ' HD22 ' A' ' 24' ' ' LEU . 1.4 tmtt? -136.32 134.46 37.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.424 ' N ' ' HB2' ' A' ' 24' ' ' LEU . . . 176.78 -179.33 47.81 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.476 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 80.2 m95 -89.67 120.26 30.79 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.83 ' HB2' HD11 ' A' ' 26' ' ' LEU . 9.8 p90 -132.18 158.54 75.28 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.4 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.4 Cg_endo -74.95 131.01 13.86 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.471 1.774 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.563 ' HB2' ' CD2' ' A' ' 43' ' ' TRP . . . -71.5 -14.57 62.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 62.5 m -70.21 -12.87 61.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.041 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.4 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 8.7 m-70 -95.11 -11.37 28.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.556 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.414 HG12 HG22 ' A' ' 12' ' ' VAL . 2.2 m -128.7 174.81 11.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.457 ' HB3' HG21 ' A' ' 13' ' ' THR . 7.2 ptmt -139.11 123.72 18.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 66' ' ' LEU . 8.8 mt -57.45 133.22 55.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.7 mt -94.99 14.49 21.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -156.9 83.49 0.15 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 110.17 3.07 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.491 1.785 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.91 77.77 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.991 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 83.9 p -90.56 128.87 36.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.566 1.166 . . . . 0.0 110.018 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.41 ' CG ' ' O ' ' A' ' 72' ' ' GLU . 4.1 pt-20 -88.74 59.3 5.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.267 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -44.53 144.88 0.96 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 110.31 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.37 113.59 25.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 56.1 m -153.46 169.47 23.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.051 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -75.48 153.49 44.52 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 117.64 4.97 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.473 1.775 . . . . 0.0 110.996 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 55.32 103.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.984 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.91 162.24 29.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.997 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 179.968 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.0 t 44.36 83.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 110.027 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 t -84.12 -58.38 2.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.007 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 54.93 -172.52 1.02 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 0.0 111.029 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 m -114.25 70.78 0.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 0.764 . . . . 0.0 110.017 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.2 m 46.1 68.63 0.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.123 . . . . 0.0 109.944 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.456 ' HA3' HD21 ' A' ' 33' ' ' LEU . . . -71.81 179.02 35.23 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.515 1.135 . . . . 0.0 110.94 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -88.64 117.49 27.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 0.768 . . . . 0.0 110.265 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.9 mm -90.33 144.65 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -127.28 137.84 52.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -103.78 116.34 32.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.616 HG11 ' C ' ' A' ' 27' ' ' ALA . 89.6 t -57.11 130.97 20.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.444 HG21 ' HB3' ' A' ' 65' ' ' LYS . 48.7 p -115.63 -15.36 11.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.407 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -148.31 129.4 14.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.982 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.635 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -62.24 145.45 53.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.273 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.45 ' HH ' ' HH2' ' A' ' 42' ' ' TRP . 71.1 t80 -138.49 152.68 48.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.9 t -126.54 118.99 52.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.64 132.08 40.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.7 m -140.44 52.87 1.63 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.035 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -155.86 -110.91 0.35 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.482 1.114 . . . . 0.0 110.966 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.14 -45.35 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 0.782 . . . . 0.0 110.012 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -109.42 33.06 4.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 0.0 110.287 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -94.13 165.67 12.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.319 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.612 HD23 ' HD2' ' A' ' 59' ' ' PHE . 11.3 tp -129.65 132.55 46.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.5 m -77.53 130.76 37.37 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 110.007 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.695 HD11 ' HB2' ' A' ' 59' ' ' PHE . 20.0 mt -109.47 145.22 36.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.616 ' C ' HG11 ' A' ' 12' ' ' VAL . . . -129.56 142.34 44.94 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.635 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.1 Cg_endo -75.04 113.69 3.85 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.498 1.788 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.6 19.87 7.63 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.692 ' HB3' HD11 ' A' ' 47' ' ' LEU . 32.2 mt-30 -120.65 172.79 7.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 0.738 . . . . 0.0 110.292 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.9 mt -124.33 142.13 51.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.34 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.889 HG13 HD12 ' A' ' 47' ' ' LEU . 7.1 mt -136.96 139.01 45.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.508 HD22 ' N ' ' A' ' 34' ' ' ILE . 2.1 tm? -94.96 128.23 41.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.356 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.508 ' N ' HD22 ' A' ' 33' ' ' LEU . 36.6 mm -77.64 122.17 31.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.321 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.562 HD12 ' HA2' ' A' ' 45' ' ' GLY . 0.6 OUTLIER -107.4 -45.53 4.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.98 146.3 38.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.453 ' CE ' HG21 ' A' ' 34' ' ' ILE . 2.8 mtmt -128.39 155.07 45.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.422 ' ND2' ' HB2' ' A' ' 40' ' ' SER . 26.1 p-10 -133.5 153.13 51.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.68 HG23 ' O ' ' A' ' 39' ' ' THR . 8.1 t -81.66 50.87 1.57 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.383 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.422 ' HB2' ' ND2' ' A' ' 38' ' ' ASN . 0.1 OUTLIER -140.28 -44.72 0.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.964 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.449 ' O ' ' HA ' ' A' ' 60' ' ' PRO . . . 140.21 -10.71 3.03 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.5 1.125 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.45 ' HH2' ' HH ' ' A' ' 16' ' ' TYR . 94.0 m95 -90.6 113.13 25.08 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.406 ' CE2' ' HD3' ' A' ' 37' ' ' LYS . 35.6 m0 -105.07 141.38 36.74 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.01 -1.108 . . . . 0.0 108.01 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.527 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 52.8 tt0 -106.11 94.14 5.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.562 ' HA2' HD12 ' A' ' 35' ' ' LEU . . . -127.5 -173.52 13.51 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.469 1.106 . . . . 0.0 110.978 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -131.06 136.37 48.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 0.75 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.889 HD12 HG13 ' A' ' 32' ' ' ILE . 9.6 tp -69.35 137.48 52.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -104.27 59.15 0.71 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.251 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -153.89 171.7 18.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.64 112.82 5.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.321 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -130.05 -169.54 12.53 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.464 1.103 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -69.9 -53.95 15.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 0.779 . . . . 0.0 109.314 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.79 72.85 1.04 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 38.72 90.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.269 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.591 ' HB3' HD11 ' A' ' 24' ' ' LEU . 1.2 mp0 -52.28 127.96 23.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.336 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.46 125.44 5.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -179.39 -171.93 43.0 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.492 1.12 . . . . 0.0 111.046 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.527 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 80.2 m95 -96.84 116.8 29.79 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.695 ' HB2' HD11 ' A' ' 26' ' ' LEU . 5.4 p90 -126.61 159.38 63.93 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.961 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.485 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.3 Cg_endo -75.07 132.13 14.99 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.483 1.781 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 64' ' ' VAL . . . -71.01 -17.2 62.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 74.5 m -69.73 -9.77 55.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.035 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.485 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 12.0 m-70 -99.35 -13.8 19.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.621 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.464 ' CG1' HD13 ' A' ' 26' ' ' LEU . 1.5 m -126.4 175.16 8.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.444 ' HB3' HG21 ' A' ' 13' ' ' THR . 0.0 OUTLIER -140.17 132.94 29.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 66' ' ' LEU . 9.3 mt -67.96 133.48 49.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.2 mt -90.65 10.39 25.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.095 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 58.08 -153.35 26.59 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.522 1.139 . . . . 0.0 110.976 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 106.92 2.37 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.5 1.789 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.0 m -177.59 136.33 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.001 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -156.03 -45.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.999 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -59.6 112.55 1.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.26 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.42 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 0.0 OUTLIER 179.85 144.08 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 110.295 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 73' ' ' ARG . . . 67.56 167.47 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.07 136.92 54.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.96 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -123.87 -120.44 2.54 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.472 1.107 . . . . 0.0 110.974 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 178.95 6.59 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.488 1.783 . . . . 0.0 110.965 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 35.9 p -141.72 -58.81 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 110.025 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.3 m 66.11 93.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.004 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.487 1.117 . . . . 0.0 111.039 179.988 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.8 t -171.52 130.61 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 0.76 . . . . 0.0 110.002 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.75 97.73 3.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.0 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 39.99 68.42 0.55 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.547 1.154 . . . . 0.0 111.001 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.23 157.36 1.34 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 0.778 . . . . 0.0 110.031 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.38 83.12 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.585 1.178 . . . . 0.0 109.994 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.78 131.81 2.52 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -62.33 143.25 57.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 0.783 . . . . 0.0 110.313 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 23.2 mm -110.53 155.24 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.548 ' HA ' ' CD1' ' A' ' 67' ' ' LEU . . . -149.91 134.22 17.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -94.57 127.78 40.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.337 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.581 HG11 ' C ' ' A' ' 27' ' ' ALA . 96.2 t -66.11 130.84 31.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 51.0 p -113.25 -24.32 9.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.381 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -137.19 130.46 31.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.992 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.632 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -65.05 142.26 58.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.536 1.148 . . . . 0.0 109.326 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.422 ' HB2' ' ND1' ' A' ' 63' ' ' HIS . 64.1 t80 -133.48 153.62 51.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.968 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 39.1 t -128.94 121.83 55.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.142 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.74 154.4 11.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.307 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.24 39.98 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.988 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -147.39 -118.48 1.05 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.456 1.098 . . . . 0.0 111.046 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.73 -45.61 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 0.754 . . . . 0.0 110.03 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -108.4 42.87 1.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' A' ' 58' ' ' TRP . 0.4 OUTLIER -107.4 151.66 25.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.332 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.463 HD11 ' HB3' ' A' ' 55' ' ' GLN . 19.4 tp -122.46 129.77 52.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 90.1 p -74.24 122.18 22.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.996 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.768 HD11 ' HB2' ' A' ' 59' ' ' PHE . 11.5 mt -98.2 149.27 22.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.581 ' C ' HG11 ' A' ' 12' ' ' VAL . . . -133.36 140.84 38.37 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.632 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.96 113.76 3.87 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.478 1.778 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.35 20.67 6.91 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.499 1.125 . . . . 0.0 111.031 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.544 ' OE1' HD21 ' A' ' 47' ' ' LEU . 27.4 mt-30 -120.79 -178.62 3.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 0.74 . . . . 0.0 110.327 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 58.5 mt -133.31 145.85 50.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.55 HG21 ' CE2' ' A' ' 59' ' ' PHE . 6.0 mt -138.05 146.01 27.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.417 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 6.8 tp -103.34 115.35 30.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.511 HG21 ' CD ' ' A' ' 37' ' ' LYS . 35.5 mm -66.52 123.15 18.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.245 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.472 HD12 ' CA ' ' A' ' 45' ' ' GLY . 0.4 OUTLIER -108.2 -47.09 3.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.26 138.36 46.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.511 ' CD ' HG21 ' A' ' 34' ' ' ILE . 3.2 mtmp? -124.29 151.53 44.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 42.8 p-10 -141.24 169.04 18.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.1 t -79.79 -33.2 40.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 110.427 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.3 -44.47 11.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.015 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 126.27 -0.24 7.55 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.45 1.094 . . . . 0.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 80.7 m95 -96.32 128.77 43.54 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 36.5 m0 -112.8 142.07 45.86 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.515 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 54.6 tt0 -109.58 93.83 4.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.32 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.472 ' CA ' HD12 ' A' ' 35' ' ' LEU . . . -121.34 -175.76 15.16 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.568 1.167 . . . . 0.0 111.036 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 55' ' ' GLN . 0.8 OUTLIER -127.55 122.57 33.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 0.747 . . . . 0.0 110.259 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.663 ' CD2' ' HB3' ' A' ' 49' ' ' ALA . 0.4 OUTLIER -50.23 117.97 2.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 62.8 mm-40 -90.87 33.61 0.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.334 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.663 ' HB3' ' CD2' ' A' ' 47' ' ' LEU . . . -133.48 60.0 1.72 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.252 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.456 ' CG ' ' O ' ' A' ' 49' ' ' ALA . 8.5 ptt180 43.71 -167.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 143.04 176.35 17.0 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.54 1.15 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.8 tttm -40.4 -56.5 2.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 0.768 . . . . 0.0 109.311 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.12 73.35 0.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 18.9 mmt85 39.88 91.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.313 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.5 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 2.0 mm-40 -49.21 153.17 1.03 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.3 123.66 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -175.45 -179.64 46.11 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.452 1.095 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.515 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 73.9 m95 -94.85 118.35 31.63 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.768 ' HB2' HD11 ' A' ' 26' ' ' LEU . 11.2 p90 -128.62 159.99 65.1 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.523 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.4 Cg_endo -74.97 130.92 13.75 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.503 1.791 . . . . 0.0 110.998 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.29 -18.87 63.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.5 m -67.3 -9.3 39.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.137 . . . . 0.0 110.001 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.523 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 8.2 m-70 -97.03 -18.31 19.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.619 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.447 HG12 HG22 ' A' ' 12' ' ' VAL . 2.1 m -121.69 175.79 4.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.431 ' O ' ' HA ' ' A' ' 10' ' ' ALA . 17.1 ptmt -137.38 135.84 37.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.469 HD23 ' HA ' ' A' ' 66' ' ' LEU . 8.7 mt -78.34 132.5 37.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.717 HD12 ' N ' ' A' ' 67' ' ' LEU . 1.0 OUTLIER -88.13 11.5 16.09 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 171.56 68.47 0.04 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.535 1.147 . . . . 0.0 111.012 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 57.04 4.46 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.45 1.763 . . . . 0.0 110.972 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.438 ' HB3' ' HB3' ' A' ' 74' ' ' ALA . 0.2 OUTLIER 176.05 73.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.97 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 37.0 m -103.19 88.73 3.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 110.012 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -169.85 -40.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.473 1.108 . . . . 0.0 110.309 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 40.1 mtt-85 -140.16 -45.46 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.305 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.438 ' HB3' ' HB3' ' A' ' 70' ' ' SER . . . -63.93 -65.58 0.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.5 m 61.03 162.63 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.962 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -82.52 154.07 32.4 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.518 1.136 . . . . 0.0 110.959 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 162.11 37.55 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.501 1.79 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.27 92.39 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.036 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 12.2 p -82.67 133.23 35.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.006 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.541 1.151 . . . . 0.0 110.981 179.971 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -123.46 -53.53 1.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 0.763 . . . . 0.0 110.024 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 m -121.7 112.8 18.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.998 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 6' ' ' SER . . . -95.22 135.36 12.35 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.472 1.107 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 m 70.09 -65.17 0.33 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 0.785 . . . . 0.0 110.003 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 4' ' ' GLY . 5.2 t 76.43 165.94 0.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.96 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.71 169.36 35.22 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.476 1.11 . . . . 0.0 111.04 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -70.96 118.42 13.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 110.289 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.553 HD13 ' O ' ' A' ' 32' ' ' ILE . 12.3 mm -102.2 142.02 17.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -127.87 134.57 49.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.255 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -96.46 114.96 26.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.593 HG11 ' C ' ' A' ' 27' ' ' ALA . 89.9 t -58.08 135.27 22.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.446 HG21 ' HB3' ' A' ' 65' ' ' LYS . 71.9 p -115.82 -26.34 7.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.386 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.418 ' HB2' ' ND1' ' A' ' 63' ' ' HIS . 1.8 m -133.42 138.17 46.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.113 . . . . 0.0 110.018 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.659 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -69.75 142.63 53.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.484 ' O ' ' N ' ' A' ' 26' ' ' LEU . 72.0 t80 -145.58 130.23 18.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.976 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.556 HG22 ' O ' ' A' ' 17' ' ' VAL . 0.1 OUTLIER -112.64 97.58 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.607 ' HB1' ' CB ' ' A' ' 23' ' ' GLN . . . -51.09 167.26 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.95 -43.35 1.98 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.974 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 23' ' ' GLN . . . -172.6 -139.33 2.81 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.478 1.112 . . . . 0.0 110.969 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 39.78 52.18 2.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 0.759 . . . . 0.0 110.031 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 43.11 38.5 1.54 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.34 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.607 ' CB ' ' HB1' ' A' ' 18' ' ' ALA . 50.8 mt-30 -79.22 173.7 12.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 110.295 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 58' ' ' TRP . 16.5 tp -141.7 129.65 21.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 m -74.76 141.67 44.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.133 . . . . 0.0 110.0 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.672 HD11 ' CD1' ' A' ' 59' ' ' PHE . 22.1 mt -116.69 153.07 32.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.593 ' C ' HG11 ' A' ' 12' ' ' VAL . . . -138.91 143.73 38.48 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.659 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.06 112.41 3.55 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.446 1.761 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.71 17.47 7.99 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.463 1.102 . . . . 0.0 111.016 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.408 ' CD ' HD21 ' A' ' 47' ' ' LEU . 34.5 mt-30 -114.42 175.44 5.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 0.778 . . . . 0.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 80.1 mt -131.23 139.43 49.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.553 ' O ' HD13 ' A' ' 9' ' ' ILE . 5.4 mt -131.32 152.64 37.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 tt -111.4 114.01 26.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.412 HG21 ' CE ' ' A' ' 37' ' ' LYS . 41.0 mm -64.14 126.85 23.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.624 HD11 ' HB2' ' A' ' 46' ' ' GLU . 7.2 mt -114.57 -49.25 2.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -134.0 159.12 41.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.359 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.412 ' CE ' HG21 ' A' ' 34' ' ' ILE . 39.7 mttt -131.52 143.42 50.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 109.365 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -105.14 -0.45 26.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 81.1 p 46.77 23.83 0.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.385 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.83 6.72 6.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.023 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.454 ' O ' ' HA ' ' A' ' 60' ' ' PRO . . . 108.93 -18.15 31.73 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.473 1.108 . . . . 0.0 111.016 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 92.9 m95 -95.59 126.26 40.75 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 32.0 m0 -118.57 141.19 48.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 107.983 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.518 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 40.3 tt0 -108.54 101.44 10.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.328 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -133.88 -171.13 12.52 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.468 1.105 . . . . 0.0 111.032 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.624 ' HB2' HD11 ' A' ' 35' ' ' LEU . 0.9 OUTLIER -125.17 131.24 53.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 0.731 . . . . 0.0 110.324 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.779 ' CD2' ' HB3' ' A' ' 49' ' ' ALA . 0.5 OUTLIER -62.98 113.07 2.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -90.73 33.9 0.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.779 ' HB3' ' CD2' ' A' ' 47' ' ' LEU . . . -124.27 140.87 52.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.36 150.41 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 164.4 -178.8 39.53 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.56 -69.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.82 -174.77 4.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.6 mmt-85 -67.33 88.61 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.316 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.421 ' O ' ' HA ' ' A' ' 46' ' ' GLU . 0.5 OUTLIER -54.71 117.63 3.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.267 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.23 128.2 33.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -178.69 -170.59 40.92 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.518 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 83.9 m95 -102.21 144.23 31.01 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.672 ' CD1' HD11 ' A' ' 26' ' ' LEU . 19.7 p90 -155.27 159.46 31.71 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 111.036 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.454 ' HA ' ' O ' ' A' ' 41' ' ' GLY . 18.1 Cg_endo -75.04 130.48 13.27 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 110.962 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.66 -15.18 62.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.82 -12.75 61.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.988 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.418 ' ND1' ' HB2' ' A' ' 14' ' ' SER . 6.1 m-70 -93.24 -16.8 24.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.621 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.485 HG12 HG22 ' A' ' 12' ' ' VAL . 2.1 m -121.0 173.23 6.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.446 ' HB3' HG21 ' A' ' 13' ' ' THR . 3.3 ptmt -138.76 127.67 23.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.499 ' HA ' HD23 ' A' ' 66' ' ' LEU . 8.8 mt -59.62 133.88 56.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.8 mt -93.36 13.67 20.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 45.74 -156.33 0.43 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.517 1.136 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 150.02 37.76 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.485 1.782 . . . . 0.0 111.042 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.7 t -160.53 -58.89 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 110.023 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.8 m -71.86 167.06 20.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.999 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -87.85 119.25 28.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.5 ptt180 -118.69 168.29 10.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.259 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.2 97.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.6 p -67.61 139.85 56.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.975 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -92.97 169.56 31.06 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 159.84 40.83 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.507 1.793 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 25.5 p 177.82 152.13 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.944 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 10.9 p -125.75 161.03 28.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.988 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.454 1.096 . . . . 0.0 111.01 179.974 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 56.87 168.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 0.782 . . . . 0.0 109.976 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -94.36 161.39 14.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.02 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.71 104.67 1.01 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.523 1.14 . . . . 0.0 110.971 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.1 t -155.48 118.12 4.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 0.776 . . . . 0.0 109.996 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -153.8 138.03 16.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.0 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.453 ' HA3' HD11 ' A' ' 33' ' ' LEU . . . -162.13 143.19 8.56 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.55 1.156 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.37 138.28 55.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 0.743 . . . . 0.0 110.242 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.45 HD13 ' O ' ' A' ' 32' ' ' ILE . 17.0 mm -110.34 147.06 14.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -131.99 128.75 39.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.255 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -90.19 114.38 26.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.323 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.637 HG11 ' C ' ' A' ' 27' ' ' ALA . 90.3 t -54.55 137.65 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.46 HG21 ' HB3' ' A' ' 65' ' ' LYS . 65.2 p -114.62 -27.74 7.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.396 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.413 ' HB2' ' ND1' ' A' ' 63' ' ' HIS . 16.5 m -134.39 147.0 50.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.014 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.462 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -76.22 138.26 40.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.502 ' O ' ' N ' ' A' ' 26' ' ' LEU . 60.1 t80 -145.7 132.7 20.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 111.016 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.796 HG22 ' O ' ' A' ' 17' ' ' VAL . 0.1 OUTLIER -117.84 77.68 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.35 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 17' ' ' VAL . . . 38.56 -158.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.66 -34.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.043 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -105.8 -87.68 1.99 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.523 1.139 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.16 -75.38 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 0.789 . . . . 0.0 110.001 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.92 -13.62 17.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.284 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.457 ' HA ' ' O ' ' A' ' 58' ' ' TRP . 69.6 mt-30 -49.57 155.74 0.75 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.334 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' A' ' 55' ' ' GLN . 10.3 tp -120.31 129.01 53.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.17 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.408 ' N ' HD12 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -68.82 124.58 24.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 110.015 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.804 HD11 ' HB2' ' A' ' 59' ' ' PHE . 21.4 mt -103.32 156.1 17.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.637 ' C ' HG11 ' A' ' 12' ' ' VAL . . . -143.07 139.72 17.08 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.462 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -75.01 111.38 3.31 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.513 1.796 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 115.02 20.59 5.59 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.503 1.127 . . . . 0.0 110.963 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -120.8 -178.5 3.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 0.758 . . . . 0.0 110.319 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.8 mt -135.75 140.63 44.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.49 HG21 ' CE2' ' A' ' 59' ' ' PHE . 5.0 mt -132.83 152.58 36.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.453 HD11 ' HA3' ' A' ' 7' ' ' GLY . 5.3 tp -107.06 116.74 32.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.755 HG21 ' HE2' ' A' ' 37' ' ' LYS . 42.9 mm -68.49 119.99 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.456 HD12 ' CA ' ' A' ' 45' ' ' GLY . 0.6 OUTLIER -107.1 -39.0 5.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.262 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.51 155.03 42.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.755 ' HE2' HG21 ' A' ' 34' ' ' ILE . 25.2 mttm -128.48 166.23 19.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.423 ' ND2' ' HB2' ' A' ' 40' ' ' SER . 41.1 t30 -147.29 132.55 18.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 63.3 p -44.53 -46.33 9.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.366 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.423 ' HB2' ' ND2' ' A' ' 38' ' ' ASN . 0.4 OUTLIER -46.83 -32.62 3.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.163 . . . . 0.0 110.004 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 122.64 -16.53 8.4 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.558 1.161 . . . . 0.0 111.003 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -67.51 127.25 32.03 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.563 ' CD2' ' HB2' ' A' ' 61' ' ' ALA . 45.0 m0 -114.52 140.95 48.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 107.996 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.521 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 52.6 tt0 -109.77 94.22 4.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.456 ' CA ' HD12 ' A' ' 35' ' ' LEU . . . -123.31 -177.9 15.28 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.417 ' CG ' ' HB2' ' A' ' 54' ' ' ARG . 1.4 tt0 -126.31 125.68 42.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 0.748 . . . . 0.0 110.291 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.874 HD22 ' HB3' ' A' ' 49' ' ' ALA . 0.6 OUTLIER -55.99 130.66 44.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -90.43 27.39 1.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.874 ' HB3' HD22 ' A' ' 47' ' ' LEU . . . -120.85 135.46 55.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.26 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.42 176.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.265 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 53' ' ' LYS . . . 136.46 71.29 0.06 OUTLIER Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.487 1.117 . . . . 0.0 111.047 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.409 ' HE3' ' N ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER 61.73 -84.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 0.74 . . . . 0.0 109.283 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -122.43 130.41 53.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.417 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -42.27 121.97 2.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.26 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.47 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 1.7 mp0 -60.33 147.92 38.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.318 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.78 125.44 3.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -172.93 -175.74 41.0 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.471 1.107 . . . . 0.0 110.967 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.521 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 80.9 m95 -101.04 108.97 20.81 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.804 ' HB2' HD11 ' A' ' 26' ' ' LEU . 14.5 p90 -118.22 156.61 50.48 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 111.016 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 132.66 15.67 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.511 1.795 . . . . 0.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.563 ' HB2' ' CD2' ' A' ' 43' ' ' TRP . . . -71.3 -9.68 58.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.8 t -76.49 -15.86 59.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.026 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.418 ' ND1' ' HB2' ' A' ' 16' ' ' TYR . 3.6 m-70 -92.08 -8.81 44.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.58 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.442 HG12 HG22 ' A' ' 12' ' ' VAL . 2.4 m -132.66 176.02 10.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.46 ' HB3' HG21 ' A' ' 13' ' ' THR . 0.0 OUTLIER -140.09 127.86 21.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.274 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.7 mt -57.4 143.87 38.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.251 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 mt -100.92 13.79 33.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.363 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -122.12 96.6 0.58 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.469 1.106 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -43.01 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.472 1.775 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 88.2 p -173.54 113.5 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.024 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.38 118.95 19.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 110.001 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -156.95 82.23 0.94 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 110.255 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.22 136.07 57.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 110.348 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -120.5 115.28 23.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.325 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.5 t -75.97 113.93 14.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 110.012 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 141.1 -177.27 21.09 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 170.04 21.3 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.478 1.778 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.6 m -137.82 164.62 28.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.138 . . . . 0.0 110.039 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.93 131.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.026 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.933 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 -179.992 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 15.3 mm -93.81 149.25 4.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -134.67 139.3 45.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 109.276 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -101.13 119.95 39.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.634 HG11 ' C ' ' A' ' 27' ' ' ALA . 98.8 t -59.3 130.94 23.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.457 ' CG2' ' HB3' ' A' ' 65' ' ' LYS . 72.9 p -113.97 -16.95 12.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 110.384 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -148.29 129.98 15.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 109.94 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.652 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -62.11 146.7 49.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.414 ' HB2' ' ND1' ' A' ' 63' ' ' HIS . 45.6 t80 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 111.026 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.402 ' HA ' ' O ' ' A' ' 58' ' ' TRP . 44.9 mt-30 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.508 HD11 ' HB3' ' A' ' 55' ' ' GLN . 22.4 tp -122.14 130.01 52.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.167 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.1 p -74.62 137.55 42.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 110.004 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.722 HD11 ' HB2' ' A' ' 59' ' ' PHE . 13.6 mt -112.96 140.59 47.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.697 ' HB3' ' NE2' ' A' ' 30' ' ' GLN . . . -126.83 142.43 43.43 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.652 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 17.9 Cg_endo -75.07 113.36 3.77 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.484 1.781 . . . . 0.0 110.974 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.24 20.47 7.06 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 0.0 110.962 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.697 ' NE2' ' HB3' ' A' ' 27' ' ' ALA . 17.6 mt-30 -119.69 179.93 4.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.771 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 66.4 mt -132.25 144.8 50.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 109.281 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.508 HG21 ' CE2' ' A' ' 59' ' ' PHE . 6.1 mt -137.85 145.79 28.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.348 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 tp -102.85 118.03 35.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.569 HG21 ' HE3' ' A' ' 37' ' ' LYS . 33.0 mm -70.66 123.5 24.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.1 -41.25 4.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.098 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.4 ttmt -140.18 147.53 40.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.098 . . . . 0.0 109.309 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.569 ' HE3' HG21 ' A' ' 34' ' ' ILE . 4.8 mttp -128.96 147.74 50.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.446 ' OD1' ' N ' ' A' ' 39' ' ' THR . 49.8 t-20 -115.46 156.69 25.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.446 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 23.0 p -78.78 1.37 23.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.408 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.24 -35.15 10.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.011 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 136.57 -23.58 3.25 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.547 1.154 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 87.9 m95 -67.21 124.9 24.4 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.473 ' CE2' ' HD3' ' A' ' 37' ' ' LYS . 43.9 m0 -115.07 141.44 48.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 108.007 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.526 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 51.1 tt0 -107.02 95.26 5.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.318 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -122.65 -179.94 15.99 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.488 1.118 . . . . 0.0 110.959 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 55' ' ' GLN . 4.2 tt0 -125.33 120.28 30.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 0.781 . . . . 0.0 110.282 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.5 HD21 ' CD ' ' A' ' 30' ' ' GLN . 0.3 OUTLIER -51.12 115.63 1.64 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 53.4 mm-40 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.262 -179.973 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.508 ' HB3' HD11 ' A' ' 24' ' ' LEU . 1.4 mp0 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.03 125.29 4.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -174.48 -170.69 37.97 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.523 1.139 . . . . 0.0 110.975 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.526 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 82.1 m95 -100.03 128.45 46.11 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.722 ' HB2' HD11 ' A' ' 26' ' ' LEU . 7.3 p90 -138.95 159.58 66.39 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 111.022 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.504 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.4 Cg_endo -74.98 131.28 14.13 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.479 1.779 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.42 ' HB2' ' CD2' ' A' ' 43' ' ' TRP . . . -72.08 -11.35 60.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.6 -12.01 60.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.001 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.504 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 9.9 m-70 -94.78 -19.26 20.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 109.626 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.9 m -116.93 174.2 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.457 ' HB3' ' CG2' ' A' ' 13' ' ' THR . 0.8 OUTLIER -141.51 125.38 17.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.473 ' HA ' HD23 ' A' ' 66' ' ' LEU . 8.5 mt -58.68 133.38 55.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.6 mt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.082 . . . . 0.0 109.292 179.998 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.3 mm -92.88 150.13 3.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -134.8 138.21 44.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.43 ' O ' HG23 ' A' ' 13' ' ' THR . 23.5 tt0 -99.86 113.92 26.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.604 HG11 ' C ' ' A' ' 27' ' ' ALA . 94.8 t -54.67 134.87 17.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.443 HG21 ' HB3' ' A' ' 65' ' ' LYS . 73.0 p -118.96 -7.79 10.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.449 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.0 129.28 6.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.978 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.644 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -62.35 147.44 48.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 37.9 t80 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 111.027 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.417 ' HA ' ' O ' ' A' ' 58' ' ' TRP . 8.1 mp0 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.596 HD11 ' HB3' ' A' ' 55' ' ' GLN . 20.5 tp -129.35 130.1 45.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.561 1.163 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.3 p -74.46 131.35 40.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.016 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.738 HD21 ' CG ' ' A' ' 59' ' ' PHE . 15.7 mt -103.76 142.0 35.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 0.0 109.267 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.754 ' HB3' ' NE2' ' A' ' 30' ' ' GLN . . . -126.33 140.82 38.17 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.644 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.99 113.0 3.69 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.512 1.796 . . . . 0.0 111.02 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 108.84 25.39 5.68 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.488 1.118 . . . . 0.0 111.0 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.754 ' NE2' ' HB3' ' A' ' 27' ' ' ALA . 16.8 mt-30 -124.27 -178.14 4.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 0.758 . . . . 0.0 110.327 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 72.2 mt -135.87 142.8 44.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.498 HG21 ' CE2' ' A' ' 59' ' ' PHE . 6.1 mt -136.32 144.32 33.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.439 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 7.3 tp -98.21 116.61 30.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.122 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.593 HG21 ' HE3' ' A' ' 37' ' ' LYS . 31.8 mm -69.22 122.06 19.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.467 ' CD1' ' HA2' ' A' ' 45' ' ' GLY . 0.2 OUTLIER -109.04 -35.51 6.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -146.65 148.28 31.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.593 ' HE3' HG21 ' A' ' 34' ' ' ILE . 5.2 mttp -129.66 126.95 39.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -88.9 169.37 11.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.16 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.4 t -96.16 13.91 25.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.407 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.78 -34.16 6.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.997 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 138.21 -11.91 3.56 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.532 1.145 . . . . 0.0 111.037 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -81.34 126.81 32.04 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.495 ' CE2' ' HD3' ' A' ' 37' ' ' LYS . 40.1 m0 -114.92 144.17 43.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 107.998 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.515 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 41.2 tt0 -110.4 99.22 8.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.467 ' HA2' ' CD1' ' A' ' 35' ' ' LEU . . . -130.11 179.65 16.69 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.457 1.098 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.455 ' CG ' ' O ' ' A' ' 55' ' ' GLN . 8.1 tt0 -121.86 131.23 53.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 0.755 . . . . 0.0 110.26 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.614 HD21 ' NE2' ' A' ' 30' ' ' GLN . 0.2 OUTLIER -63.62 121.8 14.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 63.6 mm-40 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 179.967 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.596 ' HB3' HD11 ' A' ' 24' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.11 129.86 6.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.427 ' CA ' ' HB2' ' A' ' 24' ' ' LEU . . . 179.14 -163.7 31.42 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.451 1.094 . . . . 0.0 111.001 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.515 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 83.9 m95 -101.83 143.09 32.16 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.738 ' CG ' HD21 ' A' ' 26' ' ' LEU . 5.7 p90 -155.25 158.56 32.01 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.517 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.3 Cg_endo -75.0 132.14 15.08 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.472 1.775 . . . . 0.0 111.02 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.404 ' HB2' ' CD2' ' A' ' 43' ' ' TRP . . . -71.35 -15.88 62.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.86 -9.1 56.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.014 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.517 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 9.6 m-70 -98.22 -15.04 20.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.572 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.0 m -125.85 173.88 10.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.443 ' HB3' HG21 ' A' ' 13' ' ' THR . 0.0 OUTLIER -139.12 127.9 23.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.333 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.511 ' HA ' HD23 ' A' ' 66' ' ' LEU . 8.7 mt -60.98 134.12 56.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.0 mt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.996 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 14.6 mm -96.13 149.31 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -134.7 140.17 45.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.167 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -104.13 120.7 41.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.565 HG11 ' C ' ' A' ' 27' ' ' ALA . 90.6 t -64.18 129.89 28.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.8 p -115.32 -17.2 11.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.391 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -143.04 129.17 19.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 110.054 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.646 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -63.17 145.82 54.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 61.6 t80 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.98 -179.977 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.411 ' HA ' ' O ' ' A' ' 58' ' ' TRP . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.551 HD11 ' HB3' ' A' ' 55' ' ' GLN . 23.9 tp -120.75 130.37 54.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 29.3 m -74.66 131.78 41.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 110.044 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.777 HD11 ' HB2' ' A' ' 59' ' ' PHE . 9.2 mt -107.57 143.83 35.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.671 ' HB3' ' NE2' ' A' ' 30' ' ' GLN . . . -128.59 143.81 49.8 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.646 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.01 113.54 3.82 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.516 1.798 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 108.21 24.3 6.31 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.499 1.124 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.671 ' NE2' ' HB3' ' A' ' 27' ' ' ALA . 14.8 mt-30 -121.29 172.92 7.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.577 0.81 . . . . 0.0 110.271 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 72.6 mt -126.13 139.22 53.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.6 mt -132.62 151.08 33.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.482 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 0.1 OUTLIER -106.89 115.55 30.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 43.3 mm -68.46 121.45 17.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.575 1.172 . . . . 0.0 109.34 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.561 HD11 ' HB2' ' A' ' 46' ' ' GLU . 1.3 mt -110.69 -41.75 4.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.84 155.95 47.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -132.01 164.46 26.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.321 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -140.26 150.39 44.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.5 p -60.54 -40.18 90.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.425 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.9 t -55.62 -46.61 77.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.014 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 140.93 -15.88 2.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -66.7 125.11 24.78 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 44.7 m0 -114.76 141.86 47.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 107.985 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.526 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 46.8 tt0 -109.78 97.3 6.86 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.482 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -125.58 -173.33 13.62 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.534 1.146 . . . . 0.0 110.956 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.561 ' HB2' HD11 ' A' ' 35' ' ' LEU . 14.6 tt0 -124.8 130.76 53.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 0.74 . . . . 0.0 110.282 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.98 115.34 4.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.308 -179.997 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.551 ' HB3' HD11 ' A' ' 24' ' ' LEU . 2.6 mp0 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.07 129.25 11.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 109.274 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 178.67 -177.53 48.47 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.481 1.113 . . . . 0.0 111.047 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.526 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 75.6 m95 -94.02 143.98 25.87 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.777 ' HB2' HD11 ' A' ' 26' ' ' LEU . 6.1 p90 -155.02 160.1 31.21 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 111.027 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.507 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.2 Cg_endo -74.99 131.41 14.26 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.501 1.79 . . . . 0.0 110.963 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.49 -17.42 61.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.3 t -67.1 -11.17 56.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.02 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.507 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 10.5 m-70 -94.13 -23.56 17.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.591 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.54 HG12 HG22 ' A' ' 12' ' ' VAL . 2.5 m -115.65 174.29 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.9 ptmt -138.13 129.06 27.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.451 ' HA ' HD23 ' A' ' 66' ' ' LEU . 9.0 mt -62.49 132.78 53.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.3 mt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 -179.979 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.5 mm -91.64 150.76 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -133.62 141.57 47.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -100.9 118.71 37.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.582 HG11 ' C ' ' A' ' 27' ' ' ALA . 85.1 t -62.9 129.91 26.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 69.5 p -112.57 -23.14 10.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.408 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -139.21 132.81 30.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.991 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.651 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -64.13 143.3 57.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 63.9 t80 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.955 -179.94 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.415 ' HA ' ' O ' ' A' ' 58' ' ' TRP . 8.1 mp0 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.466 HD11 ' HB3' ' A' ' 55' ' ' GLN . 19.1 tp -122.09 129.78 52.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.351 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 53.1 p -75.2 129.73 37.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.985 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.848 HD11 ' HB2' ' A' ' 59' ' ' PHE . 6.1 mt -106.82 151.93 24.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.582 ' C ' HG11 ' A' ' 12' ' ' VAL . . . -135.52 144.05 47.69 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.651 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.99 112.61 3.6 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.521 1.801 . . . . 0.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.31 20.39 7.47 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.59 ' NE2' HD21 ' A' ' 47' ' ' LEU . 11.9 mt-30 -118.25 175.43 5.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 0.758 . . . . 0.0 110.287 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 48' ' ' GLN . 73.6 mt -126.99 144.22 51.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.492 HG21 ' CE2' ' A' ' 59' ' ' PHE . 5.9 mt -137.62 143.8 32.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.531 HD23 ' N ' ' A' ' 34' ' ' ILE . 3.1 tt -101.38 114.7 28.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.531 ' N ' HD23 ' A' ' 33' ' ' LEU . 44.3 mm -66.9 125.68 24.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.542 HD11 ' HB2' ' A' ' 46' ' ' GLU . 2.3 mt -114.4 -35.92 4.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -147.37 146.89 29.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.349 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -127.63 128.82 46.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 37.7 t-20 -87.93 170.13 11.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.0 t -94.78 13.6 24.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.373 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.58 -34.55 5.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.008 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 142.2 -22.04 2.43 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.52 1.137 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -69.31 127.47 33.17 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.551 ' CD2' ' HB2' ' A' ' 61' ' ' ALA . 44.7 m0 -115.18 140.36 49.15 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.525 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 43.6 tt0 -108.15 98.18 7.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.346 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.426 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -130.3 -170.18 12.65 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.479 1.112 . . . . 0.0 110.976 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.542 ' HB2' HD11 ' A' ' 35' ' ' LEU . 12.0 tt0 -125.87 134.87 51.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 0.769 . . . . 0.0 110.262 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.869 HD13 HE21 ' A' ' 55' ' ' GLN . 0.3 OUTLIER -64.73 111.03 2.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 31' ' ' LEU . 97.6 mm-40 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.869 HE21 HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.9 127.34 14.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -177.02 -170.38 39.41 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.501 1.126 . . . . 0.0 110.981 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.525 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 85.1 m95 -101.43 143.12 31.84 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.848 ' HB2' HD11 ' A' ' 26' ' ' LEU . 8.6 p90 -155.11 159.03 32.14 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.475 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.2 Cg_endo -75.02 131.18 13.97 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.501 1.79 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.551 ' HB2' ' CD2' ' A' ' 43' ' ' TRP . . . -71.48 -17.74 62.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 54.4 m -67.5 -10.77 54.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.968 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.475 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 7.8 m-70 -95.38 -18.06 21.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.6 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.519 HG12 HG22 ' A' ' 12' ' ' VAL . 2.8 m -122.64 175.82 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.12 128.18 23.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.105 . . . . 0.0 109.292 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.524 HD23 ' HA ' ' A' ' 66' ' ' LEU . 8.5 mt -62.45 135.61 57.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.6 mt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 22.8 mm -98.43 147.46 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -134.15 136.64 43.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -99.98 121.96 42.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.338 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.575 HG11 ' C ' ' A' ' 27' ' ' ALA . 89.4 t -64.44 130.82 29.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.409 HG21 ' HB3' ' A' ' 65' ' ' LYS . 11.7 p -115.04 -18.14 11.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.423 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.89 132.08 23.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.995 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.661 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -65.44 144.68 56.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 38.5 t80 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.994 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.413 ' HA ' ' O ' ' A' ' 58' ' ' TRP . 15.2 mp0 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.55 HD11 ' HB3' ' A' ' 55' ' ' GLN . 20.3 tp -123.53 129.42 51.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.0 m -73.8 135.17 43.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.986 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.785 HD11 ' HB2' ' A' ' 59' ' ' PHE . 12.9 mt -110.73 143.44 41.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.659 ' HB3' ' NE2' ' A' ' 30' ' ' GLN . . . -127.35 143.1 46.01 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.661 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.96 112.05 3.47 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.49 1.784 . . . . 0.0 111.011 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 109.29 26.55 5.12 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.452 1.095 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.659 ' NE2' ' HB3' ' A' ' 27' ' ' ALA . 14.3 mt-30 -124.25 175.54 6.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 0.754 . . . . 0.0 110.338 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 72.3 mt -127.43 147.23 50.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.336 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.435 ' CG1' ' HA ' ' A' ' 47' ' ' LEU . 5.2 mt -139.8 153.34 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.16 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.447 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 0.4 OUTLIER -108.93 115.39 29.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 41.8 mm -68.62 116.88 9.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.562 HD11 ' HB2' ' A' ' 46' ' ' GLU . 2.1 mt -105.02 -45.0 4.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -135.07 160.34 38.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.2 mttp -130.33 168.78 16.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -140.22 159.61 41.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.4 p -90.83 53.22 2.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 110.386 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.98 -41.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.012 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 145.91 -17.41 1.77 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.492 1.12 . . . . 0.0 110.96 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -73.85 115.81 13.73 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 38.6 m0 -112.17 144.6 41.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 108.0 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.526 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 44.2 tt0 -110.55 97.9 7.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.447 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -129.45 -172.97 13.27 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.119 . . . . 0.0 111.039 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.562 ' HB2' HD11 ' A' ' 35' ' ' LEU . 17.3 tt0 -123.55 135.52 54.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.435 ' HA ' ' CG1' ' A' ' 32' ' ' ILE . 0.3 OUTLIER -68.08 112.58 5.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.327 179.964 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.55 ' HB3' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.94 126.7 8.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.404 ' CA ' ' HB2' ' A' ' 24' ' ' LEU . . . -178.97 -169.63 39.83 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.513 1.133 . . . . 0.0 110.955 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.526 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 86.9 m95 -98.62 144.13 28.25 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.785 ' HB2' HD11 ' A' ' 26' ' ' LEU . 5.8 p90 -155.39 157.0 31.56 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.954 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.475 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.4 Cg_endo -74.94 132.63 15.73 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.433 1.754 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.76 -18.02 62.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 72.5 m -67.54 -11.36 57.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.991 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.475 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 8.1 m-70 -95.62 -18.05 20.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.606 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.41 HG12 HG22 ' A' ' 12' ' ' VAL . 2.0 m -121.1 174.84 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.409 ' HB3' HG21 ' A' ' 13' ' ' THR . 0.5 OUTLIER -138.32 126.59 23.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.527 ' HA ' HD23 ' A' ' 66' ' ' LEU . 8.9 mt -63.56 133.31 53.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 20.0 mt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.313 -179.987 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.5 mp0 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.6 mm -105.98 144.46 15.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.45 ' HB1' ' CG2' ' A' ' 64' ' ' VAL . . . -131.66 135.59 47.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -100.41 122.19 42.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.608 HG11 ' C ' ' A' ' 27' ' ' ALA . 90.1 t -62.0 132.81 27.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 75.9 p -115.61 -27.07 7.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.431 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.25 131.1 39.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 110.048 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.642 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -65.52 143.28 57.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 15.4 t80 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 -179.968 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.44 ' HA ' ' O ' ' A' ' 58' ' ' TRP . 8.7 mt-30 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.615 HD11 ' HB3' ' A' ' 55' ' ' GLN . 21.3 tp -126.06 129.84 49.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.335 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.7 m -70.0 153.46 43.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.118 . . . . 0.0 109.983 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.626 HD11 ' HB2' ' A' ' 59' ' ' PHE . 18.2 mt -127.67 140.66 51.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.647 ' HB3' HE21 ' A' ' 30' ' ' GLN . . . -127.58 142.41 44.03 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.642 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.94 111.99 3.45 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.46 1.769 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.86 24.21 5.6 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.133 . . . . 0.0 110.969 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.647 HE21 ' HB3' ' A' ' 27' ' ' ALA . 12.8 mt-30 -122.68 174.99 6.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.327 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 74.5 mt -127.49 146.32 50.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.537 HG21 ' CE2' ' A' ' 59' ' ' PHE . 5.8 mt -138.54 152.01 24.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.47 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 0.8 OUTLIER -107.16 117.35 33.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.35 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.518 HG21 ' HE2' ' A' ' 37' ' ' LYS . 39.9 mm -71.51 111.63 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.65 HD11 ' HB2' ' A' ' 46' ' ' GLU . 2.1 mt -99.39 -48.2 4.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.151 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.05 159.82 40.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.518 ' HE2' HG21 ' A' ' 34' ' ' ILE . 25.1 mttt -129.91 169.29 15.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 39' ' ' THR . 36.6 t30 -138.45 162.29 34.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.451 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 13.4 p -91.38 52.49 2.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 110.422 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.9 -41.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.02 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 145.16 -17.58 1.92 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.529 1.143 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -73.35 110.15 7.41 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 41.0 m0 -105.57 140.83 38.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 107.974 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.537 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 51.3 tt0 -105.35 94.29 5.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.47 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -124.76 -174.91 14.13 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.539 1.149 . . . . 0.0 111.023 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.65 ' HB2' HD11 ' A' ' 35' ' ' LEU . 15.8 tt0 -125.23 129.95 51.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 0.76 . . . . 0.0 110.31 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.31 113.74 2.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.357 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.334 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.615 ' HB3' HD11 ' A' ' 24' ' ' LEU . 3.1 mp0 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.7 129.65 12.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 109.245 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.414 ' CA ' ' HB2' ' A' ' 24' ' ' LEU . . . 179.47 -173.88 45.72 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.122 . . . . 0.0 110.999 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.537 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 86.4 m95 -97.69 119.12 35.7 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.626 ' HB2' HD11 ' A' ' 26' ' ' LEU . 7.7 p90 -128.03 155.94 77.03 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.458 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.3 Cg_endo -75.0 132.24 15.19 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.491 1.785 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 64' ' ' VAL . . . -72.4 -21.86 61.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.88 -12.98 28.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.023 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.458 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 8.9 m-70 -93.54 -22.99 18.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.587 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.46 HG12 HG22 ' A' ' 12' ' ' VAL . 1.6 m -115.06 176.0 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.3 pttt -138.88 129.69 26.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.4 mt -59.8 140.96 56.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 mt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.584 HD13 ' O ' ' A' ' 32' ' ' ILE . 8.6 mm -92.84 143.44 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -124.69 136.25 53.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.416 ' HB3' HD21 ' A' ' 67' ' ' LEU . 21.7 tt0 -96.49 110.82 23.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.595 HG11 ' C ' ' A' ' 27' ' ' ALA . 97.0 t -56.55 134.69 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 73.8 p -115.23 -25.64 7.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.353 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.412 ' HB2' ' ND1' ' A' ' 63' ' ' HIS . 3.0 m -133.88 140.96 47.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.978 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.589 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -71.49 141.22 50.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.473 ' O ' ' N ' ' A' ' 26' ' ' LEU . 63.4 t80 . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 110.966 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.41 ' HA ' ' O ' ' A' ' 58' ' ' TRP . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.541 HD11 ' HB3' ' A' ' 55' ' ' GLN . 32.3 tp -125.68 132.29 52.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.7 p -76.43 143.96 40.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.976 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.605 HD11 ' HB2' ' A' ' 59' ' ' PHE . 12.9 mt -118.91 148.29 43.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.698 ' HB3' ' NE2' ' A' ' 30' ' ' GLN . . . -132.58 143.04 47.09 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.589 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.06 114.47 4.03 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.476 1.777 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.41 18.47 8.57 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.451 1.095 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.698 ' NE2' ' HB3' ' A' ' 27' ' ' ALA . 17.1 mt-30 -115.49 -179.88 3.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 0.765 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.1 mt -135.7 134.85 39.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.295 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.584 ' O ' HD13 ' A' ' 9' ' ' ILE . 5.9 mt -128.1 152.11 35.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.667 HD23 HD21 ' A' ' 35' ' ' LEU . 6.9 tp -105.97 118.58 36.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 47.3 mm -71.62 116.98 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.667 HD21 HD23 ' A' ' 33' ' ' LEU . 3.8 mt -106.18 -53.19 2.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -125.37 146.51 49.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.9 mttp -123.07 167.65 13.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 109.342 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -136.24 164.79 27.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.9 t -94.06 19.44 9.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 110.388 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.9 m -117.72 -39.24 3.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 110.025 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 141.65 -14.95 2.68 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.443 1.089 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 89.4 m95 -76.96 125.96 30.18 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.975 -1.121 . . . . 0.0 107.975 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 40.4 m0 -117.16 142.99 46.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 108.007 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.525 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 47.7 tt0 -110.55 96.75 6.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.345 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.446 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -125.39 -177.21 14.81 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.124 . . . . 0.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.497 ' CG ' ' O ' ' A' ' 55' ' ' GLN . 4.0 tt0 -124.91 127.99 47.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 0.759 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.402 HD11 HE22 ' A' ' 30' ' ' GLN . 0.5 OUTLIER -58.2 126.77 28.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.31 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.541 ' HB3' HD11 ' A' ' 24' ' ' LEU . 1.4 mp0 . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.04 124.1 4.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -174.4 -166.47 32.46 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.525 1.141 . . . . 0.0 110.969 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.525 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 85.1 m95 -103.46 142.06 34.9 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.605 ' HB2' HD11 ' A' ' 26' ' ' LEU . 7.2 p90 -154.96 159.86 31.44 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 111.007 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 131.02 13.87 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.53 1.805 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.38 -17.43 62.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.9 m -67.16 -12.87 61.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 110.018 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.412 ' ND1' ' HB2' ' A' ' 14' ' ' SER . 4.6 m-70 -93.19 -12.07 31.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.572 1.17 . . . . 0.0 109.629 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.464 HG12 HG22 ' A' ' 12' ' ' VAL . 2.4 m -127.27 175.3 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.99 125.16 18.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.523 HD23 ' HA ' ' A' ' 66' ' ' LEU . 8.9 mt -60.05 133.3 55.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.416 HD21 ' HB3' ' A' ' 11' ' ' GLN . 8.5 mt . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.616 HD13 ' O ' ' A' ' 32' ' ' ILE . 11.0 mm -97.38 140.85 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -125.07 137.49 54.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -98.08 111.36 23.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.613 HG11 ' C ' ' A' ' 27' ' ' ALA . 86.6 t -55.54 134.53 19.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.8 p -114.86 -27.0 7.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.41 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.418 ' HB2' ' ND1' ' A' ' 63' ' ' HIS . 2.3 m -133.69 138.43 45.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 110.004 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.641 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -70.13 142.8 52.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.422 ' O ' ' N ' ' A' ' 26' ' ' LEU . 66.5 t80 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.113 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.402 ' HA ' ' O ' ' A' ' 58' ' ' TRP . 1.3 mt-30 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.299 -0.259 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.44 HD11 ' HB3' ' A' ' 55' ' ' GLN . 25.7 tp -119.54 132.57 55.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.3 p -76.56 147.61 37.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.065 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.769 HD11 ' CD1' ' A' ' 59' ' ' PHE . 41.0 mt -118.51 156.84 28.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.613 ' C ' HG11 ' A' ' 12' ' ' VAL . . . -140.05 141.14 25.83 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.641 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.97 113.09 3.71 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.529 1.805 . . . . 0.0 111.019 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.8 22.69 6.2 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.467 1.105 . . . . 0.0 110.957 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.626 HE22 HD11 ' A' ' 47' ' ' LEU . 12.1 mt-30 -119.62 -179.96 4.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 0.741 . . . . 0.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.2 mt -135.7 135.74 40.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.616 ' O ' HD13 ' A' ' 9' ' ' ILE . 5.7 mt -128.75 154.85 40.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.127 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.451 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 9.0 tp -109.03 115.85 30.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 41.6 mm -69.99 112.15 4.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.439 HD21 HD23 ' A' ' 33' ' ' LEU . 2.9 mt -99.04 -47.3 5.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.41 150.57 52.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.6 mttp -126.64 168.74 13.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -138.01 171.39 14.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 109.266 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.1 t -99.93 21.79 12.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.407 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.42 -39.94 2.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.987 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 141.53 -15.37 2.7 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.445 1.09 . . . . 0.0 110.952 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 83.7 m95 -77.94 126.31 30.64 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 40.0 m0 -116.81 141.63 47.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.168 . . . . 0.0 108.025 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.533 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 48.9 tt0 -108.53 96.07 6.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.451 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -126.22 -177.04 14.71 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.469 ' CG ' ' O ' ' A' ' 55' ' ' GLN . 2.8 tt0 -124.59 131.04 53.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 0.739 . . . . 0.0 110.34 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.626 HD11 HE22 ' A' ' 30' ' ' GLN . 0.9 OUTLIER -60.61 126.9 29.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.1 mm-40 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.299 -179.97 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.469 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 3.1 mp0 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.55 124.56 0.82 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -174.62 -168.08 34.87 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.519 1.137 . . . . 0.0 111.032 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.533 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 81.5 m95 -104.85 119.24 38.52 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.769 ' CD1' HD11 ' A' ' 26' ' ' LEU . 16.3 p90 -131.16 161.57 60.94 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.413 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.3 Cg_endo -75.0 129.2 12.12 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.54 1.811 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.91 -19.41 62.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.6 m -65.37 -10.64 34.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.993 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.418 ' ND1' ' HB2' ' A' ' 14' ' ' SER . 10.8 m-70 -97.02 -1.91 44.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.595 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.531 HG12 HG22 ' A' ' 12' ' ' VAL . 2.5 m -137.81 176.21 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.16 129.41 22.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.475 ' HA ' HD23 ' A' ' 66' ' ' LEU . 8.9 mt -61.45 135.3 57.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.982 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.493 HD13 ' O ' ' A' ' 32' ' ' ILE . 11.0 mm -88.85 141.61 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -127.83 129.89 47.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -94.65 121.19 35.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.664 HG11 ' C ' ' A' ' 27' ' ' ALA . 97.6 t -59.07 134.04 24.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.701 HG21 ' HB3' ' A' ' 65' ' ' LYS . 69.1 p -114.99 -11.16 12.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.423 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 m -157.92 136.85 11.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.038 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.681 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -64.91 148.69 50.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 40.6 t80 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 111.006 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.422 ' HA ' ' O ' ' A' ' 58' ' ' TRP . 8.5 mp0 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.588 HD11 ' HB3' ' A' ' 55' ' ' GLN . 23.4 tp -123.65 130.97 53.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 55.1 p -75.94 129.26 36.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 109.988 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.708 HD21 ' CG ' ' A' ' 59' ' ' PHE . 12.4 mt -101.43 160.5 14.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.814 ' HB3' ' NE2' ' A' ' 30' ' ' GLN . . . -146.18 143.04 18.36 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.681 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.99 112.47 3.57 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.492 1.785 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 107.36 27.28 5.34 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.814 ' NE2' ' HB3' ' A' ' 27' ' ' ALA . 18.2 mt-30 -127.33 162.49 26.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 110.312 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 53.1 mt -113.79 147.37 38.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.327 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.493 ' O ' HD13 ' A' ' 9' ' ' ILE . 6.1 mt -140.34 152.73 21.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.507 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 0.1 OUTLIER -108.89 114.04 27.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.589 HG21 ' HE3' ' A' ' 37' ' ' LYS . 46.0 mm -65.65 125.97 23.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.549 HD12 ' HA2' ' A' ' 45' ' ' GLY . 1.8 mt -117.61 -50.52 2.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.463 ' HB3' ' CZ2' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -125.49 145.74 49.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.589 ' HE3' HG21 ' A' ' 34' ' ' ILE . 4.6 mttp -132.35 151.89 51.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.435 ' OD1' ' N ' ' A' ' 39' ' ' THR . 37.5 t30 -124.89 165.42 18.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.435 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 20.2 p -87.99 51.31 2.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.402 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.422 ' HB2' ' ND2' ' A' ' 38' ' ' ASN . 0.5 OUTLIER -153.61 -41.53 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.979 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 144.43 -16.57 2.06 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.401 ' HA ' ' O ' ' A' ' 59' ' ' PHE . 94.5 m95 -70.45 112.0 6.41 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.408 ' O ' ' N ' ' A' ' 59' ' ' PHE . 46.5 m0 -115.04 142.48 46.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 107.958 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.613 ' HB2' ' CD2' ' A' ' 58' ' ' TRP . 3.1 tt0 -112.11 106.34 14.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.549 ' HA2' HD12 ' A' ' 35' ' ' LEU . . . -132.49 -177.12 14.72 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.498 1.124 . . . . 0.0 111.031 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.431 ' CG ' ' O ' ' A' ' 55' ' ' GLN . 10.4 tt0 -118.09 126.64 52.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 0.741 . . . . 0.0 110.289 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.427 ' HB2' ' CB ' ' A' ' 55' ' ' GLN . 0.4 OUTLIER -59.78 111.7 1.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.087 . . . . 0.0 110.3 -179.965 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.588 ' HB3' HD11 ' A' ' 24' ' ' LEU . 6.1 mp0 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -163.02 126.86 2.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.435 ' CA ' ' HB2' ' A' ' 24' ' ' LEU . . . 175.43 174.53 42.1 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.613 ' CD2' ' HB2' ' A' ' 44' ' ' GLN . 64.1 m95 -80.82 145.34 31.46 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.708 ' CG ' HD21 ' A' ' 26' ' ' LEU . 8.5 p90 -154.96 161.5 29.3 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 111.029 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.502 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.4 Cg_endo -74.95 129.72 12.65 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.529 1.805 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.465 ' HA ' HG22 ' A' ' 64' ' ' VAL . . . -70.57 -26.81 63.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 74.1 m -56.68 -18.38 12.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.001 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.502 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 50.1 m-70 -93.85 -2.37 53.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.605 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.465 HG22 ' HA ' ' A' ' 61' ' ' ALA . 1.3 m -132.92 175.05 12.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.701 ' HB3' HG21 ' A' ' 13' ' ' THR . 0.1 OUTLIER -142.53 122.93 13.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.153 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 66' ' ' LEU . 8.9 mt -59.14 132.47 54.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.42 HD12 HG22 ' A' ' 9' ' ' ILE . 28.9 mt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.469 HD13 ' O ' ' A' ' 32' ' ' ILE . 5.7 mm -105.85 145.64 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -132.83 133.93 43.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.427 ' CB ' HD21 ' A' ' 67' ' ' LEU . 21.1 tt0 -94.53 115.78 28.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.692 HG11 ' C ' ' A' ' 27' ' ' ALA . 86.5 t -54.55 133.83 17.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.47 ' CG2' ' HB3' ' A' ' 65' ' ' LYS . 53.9 p -114.33 -21.23 10.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.383 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.419 ' HB2' ' ND1' ' A' ' 63' ' ' HIS . 1.7 m -143.5 137.77 28.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 110.015 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.571 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -66.89 138.76 57.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.467 ' O ' ' N ' ' A' ' 26' ' ' LEU . 68.7 t80 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 111.032 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.414 ' HA ' ' O ' ' A' ' 58' ' ' TRP . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.586 HD11 ' HB3' ' A' ' 55' ' ' GLN . 24.1 tp -123.18 133.19 54.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.3 m -78.44 141.4 38.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.949 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.622 HD22 HD13 ' A' ' 32' ' ' ILE . 15.3 mt -114.68 146.49 40.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.692 ' C ' HG11 ' A' ' 12' ' ' VAL . . . -130.78 143.05 47.77 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.339 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.571 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -75.03 114.09 3.94 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.487 1.783 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.92 15.68 10.61 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.482 1.114 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.58 ' NE2' HD21 ' A' ' 47' ' ' LEU . 16.5 mt-30 -116.8 173.88 6.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 0.77 . . . . 0.0 110.276 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 44.0 mt -127.68 143.67 51.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.085 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.622 HD13 HD22 ' A' ' 26' ' ' LEU . 5.5 mt -134.58 143.65 37.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.251 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.451 ' C ' HD23 ' A' ' 33' ' ' LEU . 3.8 tt -101.16 113.8 27.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.992 HG21 ' HE3' ' A' ' 37' ' ' LYS . 39.0 mm -65.98 125.33 22.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.35 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.57 HD11 ' HB2' ' A' ' 46' ' ' GLU . 7.7 mt -112.14 -32.81 6.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.06 144.79 31.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.992 ' HE3' HG21 ' A' ' 34' ' ' ILE . 70.2 mttt -132.19 146.75 52.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.402 ' OD1' ' C ' ' A' ' 38' ' ' ASN . 37.4 p-10 -138.7 168.85 18.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.2 t -80.61 -32.87 36.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.412 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.39 -41.96 9.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.145 . . . . 0.0 110.016 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 124.14 -0.26 8.95 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 75.4 m95 -97.02 132.8 42.47 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.568 ' CD1' ' HG2' ' A' ' 37' ' ' LYS . 35.1 m0 -116.99 142.3 47.13 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.516 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 36.8 tt0 -113.39 101.46 9.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.421 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -131.09 -163.67 11.0 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.459 1.1 . . . . 0.0 110.98 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.57 ' HB2' HD11 ' A' ' 35' ' ' LEU . 0.7 OUTLIER -131.88 130.54 41.78 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.49 0.759 . . . . 0.0 110.281 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.58 HD21 ' NE2' ' A' ' 30' ' ' GLN . 0.3 OUTLIER -60.95 111.62 1.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.332 179.967 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.586 ' HB3' HD11 ' A' ' 24' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.33 132.78 39.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 175.44 -173.22 46.11 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.516 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 74.2 m95 -99.58 145.53 27.43 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.584 ' CD1' HD11 ' A' ' 26' ' ' LEU . 6.3 p90 -155.23 159.85 31.39 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 111.03 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 131.18 14.01 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.519 1.8 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.49 -14.15 61.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.5 t -71.57 -9.22 57.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.007 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.419 ' ND1' ' HB2' ' A' ' 14' ' ' SER . 6.5 m-70 -97.34 -16.97 20.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.576 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.516 ' CG1' HD13 ' A' ' 26' ' ' LEU . 2.4 m -120.13 173.17 6.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.47 ' HB3' ' CG2' ' A' ' 13' ' ' THR . 4.6 ttpt -139.48 125.71 20.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.499 ' HA ' HD23 ' A' ' 66' ' ' LEU . 8.7 mt -58.49 134.21 56.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.427 HD21 ' CB ' ' A' ' 11' ' ' GLN . 8.9 mt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.453 ' HA ' HD13 ' A' ' 9' ' ' ILE . 17.3 mm -98.99 141.46 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -128.58 135.52 49.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.273 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -98.11 118.32 34.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.312 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.58 HG11 ' C ' ' A' ' 27' ' ' ALA . 78.9 t -60.94 131.98 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 79.9 p -114.78 -21.77 10.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.4 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -140.0 128.85 23.31 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.132 . . . . 0.0 110.005 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.677 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -62.6 147.29 49.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 28.7 t80 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.993 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.405 ' HA ' ' O ' ' A' ' 58' ' ' TRP . 2.5 mp0 . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.735 HD11 ' HB3' ' A' ' 55' ' ' GLN . 33.8 tp -119.0 129.81 55.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.3 p -71.91 134.48 46.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.994 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.729 HD11 ' HB2' ' A' ' 59' ' ' PHE . 11.2 mt -108.73 144.58 36.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.657 ' HB3' ' NE2' ' A' ' 30' ' ' GLN . . . -130.63 142.8 46.83 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.677 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.0 111.81 3.41 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.454 1.765 . . . . 0.0 110.97 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.36 20.26 6.71 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.523 1.139 . . . . 0.0 111.023 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.657 ' NE2' ' HB3' ' A' ' 27' ' ' ALA . 15.8 mt-30 -117.65 -178.36 3.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 0.777 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 70.7 mt -134.49 145.99 49.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.506 HG21 ' CE2' ' A' ' 59' ' ' PHE . 5.7 mt -140.32 145.52 25.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.108 . . . . 0.0 109.346 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.441 HD23 ' N ' ' A' ' 34' ' ' ILE . 0.6 OUTLIER -101.33 112.96 25.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.543 HG21 ' CE ' ' A' ' 37' ' ' LYS . 48.5 mm -65.21 123.24 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.4 HD11 ' HB2' ' A' ' 46' ' ' GLU . 9.1 mt -109.35 -56.72 2.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.96 143.83 50.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.543 ' CE ' HG21 ' A' ' 34' ' ' ILE . 8.0 mttt -125.28 170.07 11.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.598 HD21 ' N ' ' A' ' 42' ' ' TRP . 0.5 OUTLIER -146.37 -173.08 4.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.7 p -112.51 36.68 3.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.402 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.493 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 0.2 OUTLIER -131.05 -40.96 1.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.027 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.44 ' O ' ' HA ' ' A' ' 60' ' ' PRO . . . 134.49 -8.14 4.64 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.486 1.116 . . . . 0.0 110.966 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.598 ' N ' HD21 ' A' ' 38' ' ' ASN . 93.3 m95 -85.67 96.71 9.78 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.552 ' CD2' ' HB2' ' A' ' 61' ' ' ALA . 38.1 m0 -92.53 140.47 29.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 108.003 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.52 ' HB2' ' CD2' ' A' ' 58' ' ' TRP . 28.3 tt0 -108.87 102.53 11.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -137.92 -174.74 13.52 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.531 1.145 . . . . 0.0 111.034 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.515 ' CG ' ' HB2' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -118.32 152.43 35.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 0.791 . . . . 0.0 110.328 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.435 ' HB2' ' CB ' ' A' ' 55' ' ' GLN . 0.3 OUTLIER -81.94 112.84 19.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.093 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.255 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.735 ' HB3' HD11 ' A' ' 24' ' ' LEU . 41.0 mt-30 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.515 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . 3.2 tptm -134.33 126.38 29.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -168.1 -179.12 40.41 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.48 1.112 . . . . 0.0 110.949 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.52 ' CD2' ' HB2' ' A' ' 44' ' ' GLN . 75.3 m95 -92.4 117.97 30.46 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.729 ' HB2' HD11 ' A' ' 26' ' ' LEU . 14.6 p90 -130.12 160.12 66.99 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.5 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.3 Cg_endo -75.06 130.26 13.05 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.485 1.781 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.552 ' HB2' ' CD2' ' A' ' 43' ' ' TRP . . . -71.17 -16.41 62.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.9 m -69.77 -8.63 49.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.994 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.5 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 9.2 m-70 -98.09 -15.67 19.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.612 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.562 HG12 HG22 ' A' ' 12' ' ' VAL . 2.3 m -125.69 173.48 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.573 1.171 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -136.57 133.89 36.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.461 ' HA ' HD23 ' A' ' 66' ' ' LEU . 7.9 mt -67.92 134.3 50.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.8 mt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 180.0 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.562 HD13 ' O ' ' A' ' 32' ' ' ILE . 12.5 mm -100.1 146.29 9.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -133.02 133.89 43.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 109.253 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.543 ' CB ' HD21 ' A' ' 67' ' ' LEU . 15.0 tt0 -94.48 117.25 29.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.271 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.65 HG11 ' C ' ' A' ' 27' ' ' ALA . 88.9 t -57.67 134.07 22.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.451 ' CG2' ' HB3' ' A' ' 65' ' ' LYS . 63.4 p -114.74 -20.39 10.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.433 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.2 m -143.59 136.26 27.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.053 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.619 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -66.7 145.57 55.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.484 ' O ' ' N ' ' A' ' 26' ' ' LEU . 75.1 t80 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.54 HD11 ' HB3' ' A' ' 55' ' ' GLN . 33.3 tp -116.14 130.74 56.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 55.9 p -74.88 141.03 44.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.16 . . . . 0.0 110.0 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.725 HD21 ' CG ' ' A' ' 59' ' ' PHE . 14.4 mt -112.1 152.93 27.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.727 ' HB3' HE21 ' A' ' 30' ' ' GLN . . . -138.57 140.35 27.53 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.619 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.96 114.07 3.94 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.547 1.814 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.07 20.76 7.37 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.727 HE21 ' HB3' ' A' ' 27' ' ' ALA . 11.6 mt-30 -119.0 177.76 4.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 0.0 110.314 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 85.6 mt -131.59 138.66 48.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.313 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.562 ' O ' HD13 ' A' ' 9' ' ' ILE . 5.6 mt -131.23 152.38 37.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.43 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 11.1 tp -108.89 118.05 35.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.167 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 30.8 mm -70.65 124.5 26.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.9 -47.46 3.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.84 147.69 51.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -127.46 132.24 50.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.437 ' OD1' ' N ' ' A' ' 39' ' ' THR . 51.0 t-20 -98.46 155.88 17.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.437 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 7.7 t -82.26 4.01 25.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.4 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.414 ' HB2' ' ND2' ' A' ' 38' ' ' ASN . 0.4 OUTLIER -98.26 -31.65 11.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.021 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 132.94 -13.34 5.01 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.484 1.115 . . . . 0.0 110.966 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.431 ' HH2' ' HH ' ' A' ' 16' ' ' TYR . 80.8 m95 -79.08 129.5 34.52 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 43.0 m0 -114.87 141.54 47.78 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 108.011 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.527 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 49.9 tt0 -108.45 95.27 5.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.43 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -122.65 -179.75 15.94 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.529 1.143 . . . . 0.0 111.019 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.489 ' CG ' ' O ' ' A' ' 55' ' ' GLN . 3.0 tt0 -126.12 121.85 34.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 0.754 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.407 HD21 ' CD ' ' A' ' 30' ' ' GLN . 0.4 OUTLIER -51.09 126.54 16.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.6 mm-40 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 110.335 179.962 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.54 ' HB3' HD11 ' A' ' 24' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -166.39 125.19 1.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -175.47 -174.56 42.16 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.482 1.114 . . . . 0.0 111.014 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.527 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 85.1 m95 -99.67 114.61 27.81 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.725 ' CG ' HD21 ' A' ' 26' ' ' LEU . 12.3 p90 -122.93 160.83 47.63 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.469 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.1 Cg_endo -75.01 129.94 12.8 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.485 1.782 . . . . 0.0 110.999 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.16 -19.51 62.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 109.292 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.0 m -65.29 -10.88 36.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.962 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.469 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 10.7 m-70 -95.94 -21.93 17.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.595 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.6 m -114.25 172.75 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.271 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.451 ' HB3' ' CG2' ' A' ' 13' ' ' THR . 0.8 OUTLIER -143.4 125.4 15.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.409 ' HA ' HD23 ' A' ' 66' ' ' LEU . 8.6 mt -54.69 134.12 47.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.543 HD21 ' CB ' ' A' ' 11' ' ' GLN . 9.6 mt . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.582 HD13 ' O ' ' A' ' 32' ' ' ILE . 10.6 mm -88.19 140.86 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -124.82 139.8 53.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.421 ' O ' HG23 ' A' ' 13' ' ' THR . 21.7 tt0 -101.2 117.7 35.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.282 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.598 HG11 ' C ' ' A' ' 27' ' ' ALA . 87.3 t -60.22 127.41 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 11' ' ' GLN . 55.0 p -111.89 -9.57 14.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 0.0 110.381 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -155.14 132.79 11.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 110.007 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.663 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -63.34 147.72 50.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.481 ' HH ' ' HH2' ' A' ' 42' ' ' TRP . 57.3 t80 . . . . . 0 C--N 1.326 -0.433 0 O-C-N 124.516 1.135 . . . . 0.0 110.946 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.566 HD11 ' HB3' ' A' ' 55' ' ' GLN . 9.9 tp -139.73 126.43 20.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.15 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.471 ' N ' HD12 ' A' ' 24' ' ' LEU . 10.6 m -74.92 123.46 25.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 110.022 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.866 HD11 ' HB2' ' A' ' 59' ' ' PHE . 9.0 mt -103.83 148.54 26.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.785 ' HB3' HE21 ' A' ' 30' ' ' GLN . . . -132.26 144.32 52.57 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.663 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.05 111.62 3.37 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.512 1.796 . . . . 0.0 111.003 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.69 19.97 7.12 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.785 HE21 ' HB3' ' A' ' 27' ' ' ALA . 13.0 mt-30 -118.53 169.73 9.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 110.268 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 81.4 mt -122.46 142.14 50.88 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.808 HG13 HD12 ' A' ' 47' ' ' LEU . 6.9 mt -135.23 153.6 34.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.452 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 6.8 tp -110.73 115.6 29.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.938 HG21 ' HE3' ' A' ' 37' ' ' LYS . 38.7 mm -67.43 123.15 19.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.578 HD12 ' HA2' ' A' ' 45' ' ' GLY . 1.0 OUTLIER -111.26 -33.91 6.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 109.275 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -147.13 153.69 40.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.938 ' HE3' HG21 ' A' ' 34' ' ' ILE . 13.3 mttp -129.08 163.0 26.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -138.56 152.57 48.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.158 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 41.1 p -68.03 -32.38 72.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.431 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.5 t -62.12 -45.36 93.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.032 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 140.68 -13.18 2.93 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.481 ' HH2' ' HH ' ' A' ' 16' ' ' TYR . 98.5 m95 -73.21 127.17 31.84 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.592 ' CD2' ' HB2' ' A' ' 61' ' ' ALA . 42.9 m0 -115.26 142.99 45.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 108.044 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.524 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 46.3 tt0 -111.88 97.97 7.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 110.262 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.578 ' HA2' HD12 ' A' ' 35' ' ' LEU . . . -131.42 -172.47 13.1 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.458 1.099 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.448 ' HB2' HD11 ' A' ' 35' ' ' LEU . 1.6 tt0 -128.3 134.59 48.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 0.792 . . . . 0.0 110.329 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.808 HD12 HG13 ' A' ' 32' ' ' ILE . 7.7 tp -69.93 140.5 53.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.281 179.994 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.566 ' HB3' HD11 ' A' ' 24' ' ' LEU . 1.7 mp0 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.69 128.65 8.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.31 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.412 ' CA ' ' HB2' ' A' ' 24' ' ' LEU . . . 176.77 -171.12 44.04 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.54 1.15 . . . . 0.0 111.008 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.524 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 82.0 m95 -94.4 138.36 32.44 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.866 ' HB2' HD11 ' A' ' 26' ' ' LEU . 5.9 p90 -151.04 158.51 34.71 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.437 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.4 Cg_endo -74.98 131.72 14.64 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.497 1.788 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.592 ' HB2' ' CD2' ' A' ' 43' ' ' TRP . . . -73.17 -12.07 60.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -72.39 -13.5 61.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.993 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.437 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 8.2 m-70 -92.77 -20.46 20.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.57 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.417 HG12 HG22 ' A' ' 12' ' ' VAL . 2.4 m -119.94 175.39 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -136.96 132.69 34.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.449 ' HA ' HD23 ' A' ' 66' ' ' LEU . 8.3 mt -67.14 134.13 51.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.8 mt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.994 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.453 HD13 ' HA ' ' A' ' 9' ' ' ILE . 10.7 mm -92.39 144.06 10.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -134.86 130.22 35.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.423 ' CB ' HD21 ' A' ' 67' ' ' LEU . 26.3 tt0 -93.56 121.22 34.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.662 HG11 ' C ' ' A' ' 27' ' ' ALA . 99.8 t -58.26 136.29 21.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.464 ' CG2' ' HB3' ' A' ' 65' ' ' LYS . 63.0 p -115.2 -28.31 6.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.374 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -140.12 133.08 29.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.039 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.682 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -61.97 142.22 57.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 56.0 t80 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 111.028 179.998 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.406 ' HA ' ' O ' ' A' ' 58' ' ' TRP . 47.2 mt-30 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.559 HD11 ' HB3' ' A' ' 55' ' ' GLN . 23.2 tp -124.5 129.4 50.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 86.6 p -73.6 132.07 42.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.989 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.817 HD11 ' HB2' ' A' ' 59' ' ' PHE . 10.7 mt -110.84 150.15 29.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.662 ' C ' HG11 ' A' ' 12' ' ' VAL . . . -135.59 145.76 54.65 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.682 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.97 110.82 3.19 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.47 1.774 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 120.09 -4.09 12.69 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.631 ' O ' HG23 ' A' ' 12' ' ' VAL . 17.7 mt-30 -109.73 150.02 28.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.746 . . . . 0.0 110.307 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.63 HD23 ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -106.74 153.89 21.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.783 HD13 HD22 ' A' ' 26' ' ' LEU . 4.4 mt -136.45 136.74 48.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.496 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 5.7 tp -87.98 115.04 25.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 33.7 mm -67.94 132.09 32.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.582 1.176 . . . . 0.0 109.283 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.404 ' HG ' ' HA2' ' A' ' 45' ' ' GLY . 0.8 OUTLIER -114.72 -42.21 3.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -138.95 166.03 25.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 48.1 mttt -133.01 156.05 48.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.436 ' OD1' ' CB ' ' A' ' 40' ' ' SER . 18.2 t-20 -128.56 159.27 36.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.9 p -80.34 -22.78 41.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 110.404 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.436 ' CB ' ' OD1' ' A' ' 38' ' ' ASN . 7.3 m -76.43 -27.67 56.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.021 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 122.42 -1.08 10.43 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.507 1.13 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.406 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 91.0 m95 -81.68 121.05 25.89 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 40.0 m0 -109.29 142.74 39.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 108.002 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.565 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 40.1 tt0 -110.93 98.65 7.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.31 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.496 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -126.34 -171.26 13.1 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.483 1.114 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -130.87 127.08 37.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 0.785 . . . . 0.0 110.307 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.452 ' HA ' ' CG1' ' A' ' 32' ' ' ILE . 1.0 OUTLIER -50.06 128.86 19.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.304 -179.968 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.559 ' HB3' HD11 ' A' ' 24' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -157.45 123.75 4.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -173.86 -175.67 41.71 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.474 1.109 . . . . 0.0 110.989 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.565 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 86.2 m95 -99.58 129.03 45.7 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.817 ' HB2' HD11 ' A' ' 26' ' ' LEU . 5.7 p90 -138.8 160.85 61.38 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.466 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.3 Cg_endo -74.99 131.44 14.31 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.516 1.798 . . . . 0.0 111.017 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.472 ' HA ' HG22 ' A' ' 64' ' ' VAL . . . -70.93 -17.45 62.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.9 -10.42 53.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.006 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.466 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 8.6 m-70 -96.95 -25.02 15.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.598 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.472 HG22 ' HA ' ' A' ' 61' ' ' ALA . 2.5 m -111.85 175.35 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.464 ' HB3' ' CG2' ' A' ' 13' ' ' THR . 0.6 OUTLIER -142.01 125.87 17.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 66' ' ' LEU . 8.6 mt -61.92 133.47 55.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.423 HD21 ' CB ' ' A' ' 11' ' ' GLN . 19.1 mt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.424 1.078 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.2 mm -90.99 146.64 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -129.79 132.01 46.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.432 ' HB2' HD11 ' A' ' 67' ' ' LEU . 1.9 tt0 -97.15 120.14 36.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.66 HG11 ' C ' ' A' ' 27' ' ' ALA . 85.2 t -56.78 133.62 21.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.45 ' CG2' ' HB3' ' A' ' 65' ' ' LYS . 71.5 p -117.08 -10.76 10.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.411 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -155.8 131.85 10.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.972 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.611 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -64.29 143.39 57.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 38.7 t80 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 -179.958 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.414 ' HA ' ' O ' ' A' ' 58' ' ' TRP . 3.4 mt-30 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.611 HD23 ' HD2' ' A' ' 59' ' ' PHE . 7.4 tp -129.62 132.3 46.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.417 ' N ' HD12 ' A' ' 24' ' ' LEU . 7.2 p -76.64 136.97 39.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.953 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.687 HD11 ' HB2' ' A' ' 59' ' ' PHE . 17.5 mt -111.76 146.7 37.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.787 ' HB3' HE21 ' A' ' 30' ' ' GLN . . . -132.4 141.77 42.49 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.611 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.98 114.75 4.1 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.446 1.761 . . . . 0.0 110.974 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.35 19.17 8.12 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 0.0 110.94 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.803 ' HB3' HD11 ' A' ' 47' ' ' LEU . 20.0 mt-30 -118.65 178.9 4.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 0.755 . . . . 0.0 110.267 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.8 mt -132.98 138.56 46.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.265 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.893 HG13 HD12 ' A' ' 47' ' ' LEU . 8.7 mt -134.73 140.07 46.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.617 HD12 ' CD2' ' A' ' 35' ' ' LEU . 3.1 tm? -95.07 129.61 42.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.4 mm -79.34 116.39 23.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.617 ' CD2' HD12 ' A' ' 33' ' ' LEU . 0.6 OUTLIER -102.89 -54.73 2.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -127.79 153.58 46.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.8 mttp -126.09 169.03 13.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.329 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -143.47 150.48 39.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.569 HG23 ' O ' ' A' ' 39' ' ' THR . 12.9 t -83.83 52.41 2.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.409 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.62 -46.07 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.002 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.93 -19.36 1.42 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.496 1.122 . . . . 0.0 110.963 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 89.4 m95 -79.55 126.62 31.11 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.552 ' CD2' ' HB2' ' A' ' 61' ' ' ALA . 38.9 m0 -117.49 141.08 48.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 108.004 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.528 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 47.4 tt0 -104.67 95.64 6.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.563 ' HA2' HD12 ' A' ' 35' ' ' LEU . . . -128.23 -173.05 13.34 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.52 1.137 . . . . 0.0 110.975 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -132.69 132.86 42.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 110.303 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.893 HD12 HG13 ' A' ' 32' ' ' ILE . 10.0 tp -65.45 137.81 57.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 93.5 mm-40 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.301 179.984 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.537 ' HB3' HD11 ' A' ' 24' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.19 127.92 11.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.426 ' N ' ' HB2' ' A' ' 24' ' ' LEU . . . -179.34 -166.02 34.47 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.521 1.138 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.528 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 87.1 m95 -100.29 120.35 39.79 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.687 ' HB2' HD11 ' A' ' 26' ' ' LEU . 5.9 p90 -132.52 158.67 75.07 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.14 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.428 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.2 Cg_endo -75.06 132.27 15.16 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.481 1.779 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.552 ' HB2' ' CD2' ' A' ' 43' ' ' TRP . . . -71.32 -15.77 62.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.18 -23.43 64.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 110.034 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.428 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 14.5 m-70 -86.08 -13.05 48.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.597 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.478 HG22 ' HA ' ' A' ' 61' ' ' ALA . 1.4 m -122.81 175.66 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.45 ' HB3' ' CG2' ' A' ' 13' ' ' THR . 0.1 OUTLIER -143.34 122.35 12.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.524 HD23 ' HA ' ' A' ' 66' ' ' LEU . 8.9 mt -59.94 133.11 55.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.432 HD11 ' HB2' ' A' ' 11' ' ' GLN . 28.3 mt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.326 -0.249 . . . . 0.0 110.326 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.9 mm -80.67 145.86 8.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -123.86 146.33 48.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.349 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -108.32 111.11 22.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 110.292 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.566 HG11 ' C ' ' A' ' 27' ' ' ALA . 86.7 t -55.72 131.52 18.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.317 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.457 HG21 ' HB3' ' A' ' 65' ' ' LYS . 69.2 p -115.98 -14.9 11.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.39 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.98 128.91 15.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.018 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.662 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -62.89 145.34 55.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 22.2 t80 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 111.021 179.976 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.41 ' HA ' ' O ' ' A' ' 58' ' ' TRP . 71.1 mt-30 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.66 HD11 ' HB3' ' A' ' 55' ' ' GLN . 10.3 tp -130.15 129.24 43.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.472 ' N ' HD12 ' A' ' 24' ' ' LEU . 21.2 m -71.46 138.15 48.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.0 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.83 HD11 ' HB2' ' A' ' 59' ' ' PHE . 12.8 mt -118.27 142.34 47.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.759 ' HB3' HE21 ' A' ' 30' ' ' GLN . . . -128.59 144.76 53.4 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.662 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.97 111.84 3.42 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.524 1.802 . . . . 0.0 111.027 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 113.0 17.33 7.9 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.496 1.122 . . . . 0.0 110.992 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.759 HE21 ' HB3' ' A' ' 27' ' ' ALA . 12.0 mt-30 -114.52 175.67 5.38 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 0.732 . . . . 0.0 110.304 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.0 mt -131.55 141.61 49.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.851 HG13 HD12 ' A' ' 47' ' ' LEU . 6.6 mt -135.52 149.9 28.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.5 tp -104.07 115.95 31.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.802 HG21 ' HE2' ' A' ' 37' ' ' LYS . 51.1 mm -67.47 122.87 19.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.578 HD12 ' HA2' ' A' ' 45' ' ' GLY . 8.0 mt -107.14 -50.38 3.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.62 158.19 43.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.802 ' HE2' HG21 ' A' ' 34' ' ' ILE . 72.0 mttt -129.01 167.89 16.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.44 ' OD1' ' N ' ' A' ' 39' ' ' THR . 35.6 t30 -138.7 163.1 33.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.44 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 3.4 p -93.25 43.89 1.13 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 110.428 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.408 ' HB2' ' ND2' ' A' ' 38' ' ' ASN . 37.8 m -143.13 -42.63 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.035 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 145.1 -15.96 1.92 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.558 1.161 . . . . 0.0 111.0 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -76.93 123.35 26.17 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.563 ' CD2' ' HB2' ' A' ' 61' ' ' ALA . 38.5 m0 -115.97 143.18 45.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 107.987 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.476 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 29.4 tt0 -108.97 110.95 22.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.133 . . . . 0.0 110.272 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.578 ' HA2' HD12 ' A' ' 35' ' ' LEU . . . -152.4 -178.84 27.47 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.561 1.163 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.416 ' O ' ' HA ' ' A' ' 32' ' ' ILE . 4.9 tm-20 -117.76 154.55 31.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 0.761 . . . . 0.0 110.327 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.851 HD12 HG13 ' A' ' 32' ' ' ILE . 10.3 tp -85.86 138.67 31.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 52.3 mm-40 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 179.998 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.66 ' HB3' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.475 ' HA ' HD22 ' A' ' 24' ' ' LEU . 1.4 tmtt? -136.32 134.46 37.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.424 ' N ' ' HB2' ' A' ' 24' ' ' LEU . . . 176.78 -179.33 47.81 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.476 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 80.2 m95 -89.67 120.26 30.79 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.83 ' HB2' HD11 ' A' ' 26' ' ' LEU . 9.8 p90 -132.18 158.54 75.28 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.4 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.4 Cg_endo -74.95 131.01 13.86 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.471 1.774 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.563 ' HB2' ' CD2' ' A' ' 43' ' ' TRP . . . -71.5 -14.57 62.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 62.5 m -70.21 -12.87 61.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.041 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.4 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 8.7 m-70 -95.11 -11.37 28.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.556 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.414 HG12 HG22 ' A' ' 12' ' ' VAL . 2.2 m -128.7 174.81 11.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.457 ' HB3' HG21 ' A' ' 13' ' ' THR . 7.2 ptmt -139.11 123.72 18.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 66' ' ' LEU . 8.8 mt -57.45 133.22 55.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.7 mt . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.941 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.9 mm -90.33 144.65 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -127.28 137.84 52.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -103.78 116.34 32.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.616 HG11 ' C ' ' A' ' 27' ' ' ALA . 89.6 t -57.11 130.97 20.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.444 HG21 ' HB3' ' A' ' 65' ' ' LYS . 48.7 p -115.63 -15.36 11.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.407 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -148.31 129.4 14.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.982 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.635 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -62.24 145.45 53.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.273 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.45 ' HH ' ' HH2' ' A' ' 42' ' ' TRP . 71.1 t80 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.612 HD23 ' HD2' ' A' ' 59' ' ' PHE . 11.3 tp -129.65 132.55 46.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.5 m -77.53 130.76 37.37 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 110.007 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.695 HD11 ' HB2' ' A' ' 59' ' ' PHE . 20.0 mt -109.47 145.22 36.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.788 ' HB3' HE21 ' A' ' 30' ' ' GLN . . . -129.56 142.34 44.94 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.635 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.1 Cg_endo -75.04 113.69 3.85 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.498 1.788 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.6 19.87 7.63 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.788 HE21 ' HB3' ' A' ' 27' ' ' ALA . 17.0 mt-30 -120.65 172.79 7.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 0.738 . . . . 0.0 110.292 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.9 mt -124.33 142.13 51.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.34 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.889 HG13 HD12 ' A' ' 47' ' ' LEU . 7.1 mt -136.96 139.01 45.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.508 HD22 ' N ' ' A' ' 34' ' ' ILE . 2.1 tm? -94.96 128.23 41.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.356 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.508 ' N ' HD22 ' A' ' 33' ' ' LEU . 36.6 mm -77.64 122.17 31.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.321 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.562 HD12 ' HA2' ' A' ' 45' ' ' GLY . 0.6 OUTLIER -107.4 -45.53 4.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.98 146.3 38.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.453 ' CE ' HG21 ' A' ' 34' ' ' ILE . 2.8 mtmt -128.39 155.07 45.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.422 ' ND2' ' HB2' ' A' ' 40' ' ' SER . 26.1 p-10 -133.5 153.13 51.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.68 HG23 ' O ' ' A' ' 39' ' ' THR . 8.1 t -81.66 50.87 1.57 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.383 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.422 ' HB2' ' ND2' ' A' ' 38' ' ' ASN . 0.1 OUTLIER -140.28 -44.72 0.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.964 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.449 ' O ' ' HA ' ' A' ' 60' ' ' PRO . . . 140.21 -10.71 3.03 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.5 1.125 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.45 ' HH2' ' HH ' ' A' ' 16' ' ' TYR . 94.0 m95 -90.6 113.13 25.08 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.406 ' CE2' ' HD3' ' A' ' 37' ' ' LYS . 35.6 m0 -105.07 141.38 36.74 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.01 -1.108 . . . . 0.0 108.01 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.527 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 52.8 tt0 -106.11 94.14 5.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.562 ' HA2' HD12 ' A' ' 35' ' ' LEU . . . -127.5 -173.52 13.51 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.469 1.106 . . . . 0.0 110.978 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -131.06 136.37 48.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 0.75 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.889 HD12 HG13 ' A' ' 32' ' ' ILE . 9.6 tp -69.35 137.48 52.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.251 -179.938 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.591 ' HB3' HD11 ' A' ' 24' ' ' LEU . 1.2 mp0 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.46 125.44 5.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -179.39 -171.93 43.0 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.492 1.12 . . . . 0.0 111.046 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.527 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 80.2 m95 -96.84 116.8 29.79 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.695 ' HB2' HD11 ' A' ' 26' ' ' LEU . 5.4 p90 -126.61 159.38 63.93 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.961 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.485 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.3 Cg_endo -75.07 132.13 14.99 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.483 1.781 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 64' ' ' VAL . . . -71.01 -17.2 62.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 74.5 m -69.73 -9.77 55.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.035 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.485 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 12.0 m-70 -99.35 -13.8 19.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.621 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.464 ' CG1' HD13 ' A' ' 26' ' ' LEU . 1.5 m -126.4 175.16 8.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.444 ' HB3' HG21 ' A' ' 13' ' ' THR . 0.0 OUTLIER -140.17 132.94 29.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 66' ' ' LEU . 9.3 mt -67.96 133.48 49.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.2 mt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.095 . . . . 0.0 109.29 -179.984 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 23.2 mm -110.53 155.24 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.548 ' HA ' ' CD1' ' A' ' 67' ' ' LEU . . . -149.91 134.22 17.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -94.57 127.78 40.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.337 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.581 HG11 ' C ' ' A' ' 27' ' ' ALA . 96.2 t -66.11 130.84 31.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 51.0 p -113.25 -24.32 9.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.381 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -137.19 130.46 31.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.992 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.632 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -65.05 142.26 58.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.536 1.148 . . . . 0.0 109.326 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.422 ' HB2' ' ND1' ' A' ' 63' ' ' HIS . 64.1 t80 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.968 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' A' ' 58' ' ' TRP . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.332 -0.248 . . . . 0.0 110.332 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.463 HD11 ' HB3' ' A' ' 55' ' ' GLN . 19.4 tp -122.46 129.77 52.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 90.1 p -74.24 122.18 22.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.996 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.768 HD11 ' HB2' ' A' ' 59' ' ' PHE . 11.5 mt -98.2 149.27 22.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.581 ' C ' HG11 ' A' ' 12' ' ' VAL . . . -133.36 140.84 38.37 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.632 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.96 113.76 3.87 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.478 1.778 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.35 20.67 6.91 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.499 1.125 . . . . 0.0 111.031 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.697 ' NE2' HD21 ' A' ' 47' ' ' LEU . 10.5 mt-30 -120.79 -178.62 3.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 0.74 . . . . 0.0 110.327 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 58.5 mt -133.31 145.85 50.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.55 HG21 ' CE2' ' A' ' 59' ' ' PHE . 6.0 mt -138.05 146.01 27.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.417 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 6.8 tp -103.34 115.35 30.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.511 HG21 ' CD ' ' A' ' 37' ' ' LYS . 35.5 mm -66.52 123.15 18.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.245 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.472 HD12 ' CA ' ' A' ' 45' ' ' GLY . 0.4 OUTLIER -108.2 -47.09 3.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.26 138.36 46.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.511 ' CD ' HG21 ' A' ' 34' ' ' ILE . 3.2 mtmp? -124.29 151.53 44.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 42.8 p-10 -141.24 169.04 18.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.1 t -79.79 -33.2 40.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 110.427 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.3 -44.47 11.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.015 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 126.27 -0.24 7.55 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.45 1.094 . . . . 0.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 80.7 m95 -96.32 128.77 43.54 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 36.5 m0 -112.8 142.07 45.86 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.515 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 54.6 tt0 -109.58 93.83 4.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.32 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.472 ' CA ' HD12 ' A' ' 35' ' ' LEU . . . -121.34 -175.76 15.16 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.568 1.167 . . . . 0.0 111.036 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 55' ' ' GLN . 0.8 OUTLIER -127.55 122.57 33.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 0.747 . . . . 0.0 110.259 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.697 HD21 ' NE2' ' A' ' 30' ' ' GLN . 0.4 OUTLIER -50.23 117.97 2.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 62.8 mm-40 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.334 179.995 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.5 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 2.0 mm-40 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.3 123.66 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -175.45 -179.64 46.11 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.452 1.095 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.515 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 73.9 m95 -94.85 118.35 31.63 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.768 ' HB2' HD11 ' A' ' 26' ' ' LEU . 11.2 p90 -128.62 159.99 65.1 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.523 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.4 Cg_endo -74.97 130.92 13.75 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.503 1.791 . . . . 0.0 110.998 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.29 -18.87 63.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.5 m -67.3 -9.3 39.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.137 . . . . 0.0 110.001 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.523 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 8.2 m-70 -97.03 -18.31 19.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.619 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.447 HG12 HG22 ' A' ' 12' ' ' VAL . 2.1 m -121.69 175.79 4.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.431 ' O ' ' HA ' ' A' ' 10' ' ' ALA . 17.1 ptmt -137.38 135.84 37.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.469 HD23 ' HA ' ' A' ' 66' ' ' LEU . 8.7 mt -78.34 132.5 37.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.717 ' N ' HD12 ' A' ' 67' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.553 HD13 ' O ' ' A' ' 32' ' ' ILE . 12.3 mm -102.2 142.02 17.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -127.87 134.57 49.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.255 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -96.46 114.96 26.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.593 HG11 ' C ' ' A' ' 27' ' ' ALA . 89.9 t -58.08 135.27 22.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.446 HG21 ' HB3' ' A' ' 65' ' ' LYS . 71.9 p -115.82 -26.34 7.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.386 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.418 ' HB2' ' ND1' ' A' ' 63' ' ' HIS . 1.8 m -133.42 138.17 46.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.113 . . . . 0.0 110.018 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.659 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -69.75 142.63 53.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.484 ' O ' ' N ' ' A' ' 26' ' ' LEU . 72.0 t80 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.976 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.442 ' HA ' ' O ' ' A' ' 58' ' ' TRP . 50.8 mt-30 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 58' ' ' TRP . 16.5 tp -141.7 129.65 21.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 m -74.76 141.67 44.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.133 . . . . 0.0 110.0 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.672 HD11 ' CD1' ' A' ' 59' ' ' PHE . 22.1 mt -116.69 153.07 32.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.593 ' C ' HG11 ' A' ' 12' ' ' VAL . . . -138.91 143.73 38.48 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.659 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.06 112.41 3.55 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.446 1.761 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.71 17.47 7.99 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.463 1.102 . . . . 0.0 111.016 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.493 ' NE2' HD21 ' A' ' 47' ' ' LEU . 13.1 mt-30 -114.42 175.44 5.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 0.778 . . . . 0.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 80.1 mt -131.23 139.43 49.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.553 ' O ' HD13 ' A' ' 9' ' ' ILE . 5.4 mt -131.32 152.64 37.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 tt -111.4 114.01 26.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.412 HG21 ' CE ' ' A' ' 37' ' ' LYS . 41.0 mm -64.14 126.85 23.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.624 HD11 ' HB2' ' A' ' 46' ' ' GLU . 7.2 mt -114.57 -49.25 2.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -134.0 159.12 41.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.359 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.412 ' CE ' HG21 ' A' ' 34' ' ' ILE . 39.7 mttt -131.52 143.42 50.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 109.365 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -105.14 -0.45 26.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 81.1 p 46.77 23.83 0.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.385 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.83 6.72 6.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.023 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.454 ' O ' ' HA ' ' A' ' 60' ' ' PRO . . . 108.93 -18.15 31.73 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.473 1.108 . . . . 0.0 111.016 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 92.9 m95 -95.59 126.26 40.75 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 32.0 m0 -118.57 141.19 48.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 107.983 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.518 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 40.3 tt0 -108.54 101.44 10.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.328 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -133.88 -171.13 12.52 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.468 1.105 . . . . 0.0 111.032 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.624 ' HB2' HD11 ' A' ' 35' ' ' LEU . 0.9 OUTLIER -125.17 131.24 53.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 0.731 . . . . 0.0 110.324 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.493 HD21 ' NE2' ' A' ' 30' ' ' GLN . 0.5 OUTLIER -62.98 113.07 2.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 -179.993 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.421 ' O ' ' HA ' ' A' ' 46' ' ' GLU . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.267 -0.272 . . . . 0.0 110.267 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.23 128.2 33.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -178.69 -170.59 40.92 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.518 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 83.9 m95 -102.21 144.23 31.01 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.672 ' CD1' HD11 ' A' ' 26' ' ' LEU . 19.7 p90 -155.27 159.46 31.71 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 111.036 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.454 ' HA ' ' O ' ' A' ' 41' ' ' GLY . 18.1 Cg_endo -75.04 130.48 13.27 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 110.962 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.66 -15.18 62.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.82 -12.75 61.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.988 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.418 ' ND1' ' HB2' ' A' ' 14' ' ' SER . 6.1 m-70 -93.24 -16.8 24.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.621 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.485 HG12 HG22 ' A' ' 12' ' ' VAL . 2.1 m -121.0 173.23 6.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.446 ' HB3' HG21 ' A' ' 13' ' ' THR . 3.3 ptmt -138.76 127.67 23.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.499 ' HA ' HD23 ' A' ' 66' ' ' LEU . 8.8 mt -59.62 133.88 56.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.8 mt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.999 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.45 HD13 ' O ' ' A' ' 32' ' ' ILE . 17.0 mm -110.34 147.06 14.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -131.99 128.75 39.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.255 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -90.19 114.38 26.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.323 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.637 HG11 ' C ' ' A' ' 27' ' ' ALA . 90.3 t -54.55 137.65 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.46 HG21 ' HB3' ' A' ' 65' ' ' LYS . 65.2 p -114.62 -27.74 7.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.396 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.413 ' HB2' ' ND1' ' A' ' 63' ' ' HIS . 16.5 m -134.39 147.0 50.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.014 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.462 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -76.22 138.26 40.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.502 ' O ' ' N ' ' A' ' 26' ' ' LEU . 60.1 t80 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 111.016 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.457 ' HA ' ' O ' ' A' ' 58' ' ' TRP . 69.6 mt-30 . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' A' ' 55' ' ' GLN . 10.3 tp -120.31 129.01 53.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.17 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.408 ' N ' HD12 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -68.82 124.58 24.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 110.015 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.804 HD11 ' HB2' ' A' ' 59' ' ' PHE . 21.4 mt -103.32 156.1 17.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.637 ' C ' HG11 ' A' ' 12' ' ' VAL . . . -143.07 139.72 17.08 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.462 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -75.01 111.38 3.31 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.513 1.796 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 115.02 20.59 5.59 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.503 1.127 . . . . 0.0 110.963 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.534 HE21 ' HB3' ' A' ' 27' ' ' ALA . 14.7 mt-30 -120.8 -178.5 3.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 0.758 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.8 mt -135.75 140.63 44.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.49 HG21 ' CE2' ' A' ' 59' ' ' PHE . 5.0 mt -132.83 152.58 36.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.426 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 5.3 tp -107.06 116.74 32.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.755 HG21 ' HE2' ' A' ' 37' ' ' LYS . 42.9 mm -68.49 119.99 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.456 HD12 ' CA ' ' A' ' 45' ' ' GLY . 0.6 OUTLIER -107.1 -39.0 5.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.262 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.51 155.03 42.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.755 ' HE2' HG21 ' A' ' 34' ' ' ILE . 25.2 mttm -128.48 166.23 19.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.423 ' ND2' ' HB2' ' A' ' 40' ' ' SER . 41.1 t30 -147.29 132.55 18.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 63.3 p -44.53 -46.33 9.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.366 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.423 ' HB2' ' ND2' ' A' ' 38' ' ' ASN . 0.4 OUTLIER -46.83 -32.62 3.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.163 . . . . 0.0 110.004 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 122.64 -16.53 8.4 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.558 1.161 . . . . 0.0 111.003 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -67.51 127.25 32.03 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.563 ' CD2' ' HB2' ' A' ' 61' ' ' ALA . 45.0 m0 -114.52 140.95 48.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 107.996 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.521 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 52.6 tt0 -109.77 94.22 4.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.456 ' CA ' HD12 ' A' ' 35' ' ' LEU . . . -123.31 -177.9 15.28 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -126.31 125.68 42.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 0.748 . . . . 0.0 110.291 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.425 HD11 HE22 ' A' ' 30' ' ' GLN . 0.6 OUTLIER -55.99 130.66 44.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 179.994 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.47 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 1.7 mp0 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.318 -0.252 . . . . 0.0 110.318 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.78 125.44 3.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -172.93 -175.74 41.0 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.471 1.107 . . . . 0.0 110.967 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.521 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 80.9 m95 -101.04 108.97 20.81 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.804 ' HB2' HD11 ' A' ' 26' ' ' LEU . 14.5 p90 -118.22 156.61 50.48 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 111.016 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 132.66 15.67 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.511 1.795 . . . . 0.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.563 ' HB2' ' CD2' ' A' ' 43' ' ' TRP . . . -71.3 -9.68 58.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.8 t -76.49 -15.86 59.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.026 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.418 ' ND1' ' HB2' ' A' ' 16' ' ' TYR . 3.6 m-70 -92.08 -8.81 44.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.58 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.442 HG12 HG22 ' A' ' 12' ' ' VAL . 2.4 m -132.66 176.02 10.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.46 ' HB3' HG21 ' A' ' 13' ' ' THR . 0.0 OUTLIER -140.09 127.86 21.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.274 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.7 mt -57.4 143.87 38.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.251 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 mt . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.363 179.954 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.5 p -175.22 124.82 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 110.03 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.0 p -146.06 109.54 4.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.973 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.5 -75.37 0.02 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.4 m -146.09 101.95 3.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 0.771 . . . . 0.0 109.969 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.4 p -164.32 111.68 1.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.017 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.86 -168.71 33.61 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.466 1.104 . . . . 0.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -92.45 113.33 25.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 0.809 . . . . 0.0 110.31 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 15.3 mm -93.81 149.25 4.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -134.67 139.3 45.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 109.276 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -101.13 119.95 39.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.634 HG11 ' C ' ' A' ' 27' ' ' ALA . 98.8 t -59.3 130.94 23.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.457 ' CG2' ' HB3' ' A' ' 65' ' ' LYS . 72.9 p -113.97 -16.95 12.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 110.384 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -148.29 129.98 15.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 109.94 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.652 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -62.11 146.7 49.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.454 ' CE2' ' HA ' ' A' ' 18' ' ' ALA . 45.6 t80 -138.39 154.72 48.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 111.026 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 62.4 t -121.74 93.79 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.538 ' HB2' ' C ' ' A' ' 24' ' ' LEU . . . -53.65 127.61 26.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.3 m -60.76 -61.19 2.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.02 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 22' ' ' GLU . . . 162.15 -41.24 0.38 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.55 1.156 . . . . 0.0 110.966 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.41 85.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 0.784 . . . . 0.0 110.0 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER 43.21 45.83 4.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.48 ' HB3' ' HB1' ' A' ' 18' ' ' ALA . 44.9 mt-30 -109.07 153.04 24.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.349 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.538 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 22.4 tp -122.14 130.01 52.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.167 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.1 p -74.62 137.55 42.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 110.004 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.722 HD11 ' HB2' ' A' ' 59' ' ' PHE . 13.6 mt -112.96 140.59 47.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.697 ' HB3' ' NE2' ' A' ' 30' ' ' GLN . . . -126.83 142.43 43.43 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.652 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 17.9 Cg_endo -75.07 113.36 3.77 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.484 1.781 . . . . 0.0 110.974 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.24 20.47 7.06 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 0.0 110.962 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.697 ' NE2' ' HB3' ' A' ' 27' ' ' ALA . 17.6 mt-30 -119.69 179.93 4.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.771 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 66.4 mt -132.25 144.8 50.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 109.281 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.508 HG21 ' CE2' ' A' ' 59' ' ' PHE . 6.1 mt -137.85 145.79 28.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.348 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 tp -102.85 118.03 35.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.569 HG21 ' HE3' ' A' ' 37' ' ' LYS . 33.0 mm -70.66 123.5 24.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.1 -41.25 4.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.098 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.4 ttmt -140.18 147.53 40.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.098 . . . . 0.0 109.309 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.569 ' HE3' HG21 ' A' ' 34' ' ' ILE . 4.8 mttp -128.96 147.74 50.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.446 ' OD1' ' N ' ' A' ' 39' ' ' THR . 49.8 t-20 -115.46 156.69 25.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.446 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 23.0 p -78.78 1.37 23.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.408 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.24 -35.15 10.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.011 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 136.57 -23.58 3.25 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.547 1.154 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 87.9 m95 -67.21 124.9 24.4 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.473 ' CE2' ' HD3' ' A' ' 37' ' ' LYS . 43.9 m0 -115.07 141.44 48.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 108.007 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.526 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 51.1 tt0 -107.02 95.26 5.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.318 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -122.65 -179.94 15.99 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.488 1.118 . . . . 0.0 110.959 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 55' ' ' GLN . 4.2 tt0 -125.33 120.28 30.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 0.781 . . . . 0.0 110.282 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.727 ' CD2' ' HB3' ' A' ' 49' ' ' ALA . 0.3 OUTLIER -51.12 115.63 1.64 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 53.4 mm-40 -90.0 36.42 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.262 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.727 ' HB3' ' CD2' ' A' ' 47' ' ' LEU . . . -124.24 147.56 47.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -46.29 122.03 3.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.258 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -152.4 144.01 11.02 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.506 1.129 . . . . 0.0 110.977 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -42.36 -51.5 4.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 0.766 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.06 133.5 47.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.3 mtt85 -42.34 109.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 110.298 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.508 ' HB3' HD11 ' A' ' 24' ' ' LEU . 1.4 mp0 -71.19 130.6 41.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.03 125.29 4.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -174.48 -170.69 37.97 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.523 1.139 . . . . 0.0 110.975 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.526 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 82.1 m95 -100.03 128.45 46.11 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.722 ' HB2' HD11 ' A' ' 26' ' ' LEU . 7.3 p90 -138.95 159.58 66.39 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 111.022 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.504 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.4 Cg_endo -74.98 131.28 14.13 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.479 1.779 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.42 ' HB2' ' CD2' ' A' ' 43' ' ' TRP . . . -72.08 -11.35 60.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.6 -12.01 60.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.001 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.504 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 9.9 m-70 -94.78 -19.26 20.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 109.626 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.9 m -116.93 174.2 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.457 ' HB3' ' CG2' ' A' ' 13' ' ' THR . 0.8 OUTLIER -141.51 125.38 17.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.473 ' HA ' HD23 ' A' ' 66' ' ' LEU . 8.5 mt -58.68 133.38 55.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.6 mt -89.46 15.7 8.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.082 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 38.04 71.56 0.22 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.119 . . . . 0.0 110.966 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 64.37 6.05 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.487 1.783 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 t -178.18 76.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.962 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 44.1 p -163.8 166.55 21.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.959 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -124.57 84.96 2.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 110.285 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 6.9 mtp-105 61.41 92.91 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.3 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -43.95 105.85 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.89 165.64 24.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.15 . . . . 0.0 110.011 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 155.1 -80.76 0.18 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 66.23 6.04 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.44 166.7 1.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 110.017 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.4 t -114.24 -58.06 2.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 110.001 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 -179.953 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.1 p -148.92 108.6 4.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 0.775 . . . . 0.0 109.983 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t -171.46 -59.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.016 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.32 -90.75 0.3 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 70.69 -66.22 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 0.775 . . . . 0.0 110.007 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.2 p -172.28 148.81 2.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.972 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.662 ' HA3' HD11 ' A' ' 33' ' ' LEU . . . -54.31 164.77 2.88 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.471 1.107 . . . . 0.0 110.965 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.3 118.77 15.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 110.268 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.3 mm -92.88 150.13 3.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -134.8 138.21 44.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.43 ' O ' HG23 ' A' ' 13' ' ' THR . 23.5 tt0 -99.86 113.92 26.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.604 HG11 ' C ' ' A' ' 27' ' ' ALA . 94.8 t -54.67 134.87 17.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.443 HG21 ' HB3' ' A' ' 65' ' ' LYS . 73.0 p -118.96 -7.79 10.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.449 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.0 129.28 6.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.978 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.644 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -62.35 147.44 48.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -139.95 155.61 47.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 111.027 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 67.2 t -125.41 100.91 7.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.445 1.091 . . . . 0.0 109.328 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.452 ' HB1' ' HB3' ' A' ' 23' ' ' GLN . . . -47.29 157.25 0.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.6 m -108.64 -56.26 2.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 109.995 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -89.47 -160.78 36.84 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.463 1.102 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.15 -35.69 13.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 0.753 . . . . 0.0 109.986 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.468 ' O ' ' CA ' ' A' ' 57' ' ' GLY . 0.1 OUTLIER -68.17 -29.66 68.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.24 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.452 ' HB3' ' HB1' ' A' ' 18' ' ' ALA . 8.1 mp0 -63.36 158.82 19.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.303 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.596 HD11 ' HB3' ' A' ' 55' ' ' GLN . 20.5 tp -129.35 130.1 45.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.561 1.163 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.3 p -74.46 131.35 40.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.016 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.738 HD21 ' CG ' ' A' ' 59' ' ' PHE . 15.7 mt -103.76 142.0 35.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 0.0 109.267 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.754 ' HB3' ' NE2' ' A' ' 30' ' ' GLN . . . -126.33 140.82 38.17 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.644 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.99 113.0 3.69 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.512 1.796 . . . . 0.0 111.02 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 108.84 25.39 5.68 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.488 1.118 . . . . 0.0 111.0 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.754 ' NE2' ' HB3' ' A' ' 27' ' ' ALA . 16.8 mt-30 -124.27 -178.14 4.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 0.758 . . . . 0.0 110.327 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 72.2 mt -135.87 142.8 44.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.498 HG21 ' CE2' ' A' ' 59' ' ' PHE . 6.1 mt -136.32 144.32 33.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.662 HD11 ' HA3' ' A' ' 7' ' ' GLY . 7.3 tp -98.21 116.61 30.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.122 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.593 HG21 ' HE3' ' A' ' 37' ' ' LYS . 31.8 mm -69.22 122.06 19.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.467 ' CD1' ' HA2' ' A' ' 45' ' ' GLY . 0.2 OUTLIER -109.04 -35.51 6.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -146.65 148.28 31.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.593 ' HE3' HG21 ' A' ' 34' ' ' ILE . 5.2 mttp -129.66 126.95 39.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -88.9 169.37 11.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.16 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.4 t -96.16 13.91 25.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.407 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.78 -34.16 6.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.997 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 138.21 -11.91 3.56 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.532 1.145 . . . . 0.0 111.037 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -81.34 126.81 32.04 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.495 ' CE2' ' HD3' ' A' ' 37' ' ' LYS . 40.1 m0 -114.92 144.17 43.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 107.998 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.515 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 41.2 tt0 -110.4 99.22 8.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.467 ' HA2' ' CD1' ' A' ' 35' ' ' LEU . . . -130.11 179.65 16.69 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.457 1.098 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.455 ' CG ' ' O ' ' A' ' 55' ' ' GLN . 8.1 tt0 -121.86 131.23 53.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 0.755 . . . . 0.0 110.26 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.661 HD22 ' HB3' ' A' ' 49' ' ' ALA . 0.2 OUTLIER -63.62 121.8 14.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 63.6 mm-40 -90.79 28.81 1.45 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.661 ' HB3' HD22 ' A' ' 47' ' ' LEU . . . -114.97 151.64 33.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.4 132.01 34.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.43 ' O ' ' CB ' ' A' ' 52' ' ' LYS . . . 169.84 90.08 0.08 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.519 1.137 . . . . 0.0 111.048 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.43 ' CB ' ' O ' ' A' ' 51' ' ' GLY . 8.9 tttt 82.33 -68.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 0.77 . . . . 0.0 109.341 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -159.47 -178.2 6.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -76.7 105.44 7.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.285 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.596 ' HB3' HD11 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -67.47 140.37 57.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 110.266 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.11 129.86 6.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.468 ' CA ' ' O ' ' A' ' 22' ' ' GLU . . . 179.14 -163.7 31.42 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.451 1.094 . . . . 0.0 111.001 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.515 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 83.9 m95 -101.83 143.09 32.16 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.738 ' CG ' HD21 ' A' ' 26' ' ' LEU . 5.7 p90 -155.25 158.56 32.01 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.517 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.3 Cg_endo -75.0 132.14 15.08 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.472 1.775 . . . . 0.0 111.02 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.404 ' HB2' ' CD2' ' A' ' 43' ' ' TRP . . . -71.35 -15.88 62.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.86 -9.1 56.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.014 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.517 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 9.6 m-70 -98.22 -15.04 20.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.572 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.0 m -125.85 173.88 10.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.443 ' HB3' HG21 ' A' ' 13' ' ' THR . 0.0 OUTLIER -139.12 127.9 23.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.333 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.511 ' HA ' HD23 ' A' ' 66' ' ' LEU . 8.7 mt -60.98 134.12 56.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.0 mt -88.86 14.44 10.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -98.58 124.56 8.25 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 164.5 33.22 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.47 1.774 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 26.5 t -135.44 -58.52 0.78 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 110.022 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.59 136.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.977 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -150.15 99.6 2.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -58.99 158.54 8.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 110.347 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -170.7 -53.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.429 1.081 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.48 -55.76 2.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.421 1.075 . . . . 0.0 109.996 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -59.63 157.76 24.78 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.528 1.143 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 135.41 19.07 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.473 1.775 . . . . 0.0 110.999 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.45 -57.13 14.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.038 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.31 -58.76 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.021 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.133 . . . . 0.0 110.997 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.97 96.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 0.74 . . . . 0.0 110.007 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.5 m -114.82 107.09 14.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.993 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.64 62.92 0.46 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.481 1.113 . . . . 0.0 110.971 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.6 p -163.0 159.89 23.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 0.0 109.97 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.4 t -165.78 134.54 3.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.051 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.61 172.45 45.17 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.509 1.131 . . . . 0.0 110.973 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -74.89 115.13 14.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 0.766 . . . . 0.0 110.278 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 14.6 mm -96.13 149.31 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -134.7 140.17 45.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.167 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -104.13 120.7 41.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.565 HG11 ' C ' ' A' ' 27' ' ' ALA . 90.6 t -64.18 129.89 28.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.8 p -115.32 -17.2 11.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.391 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -143.04 129.17 19.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 110.054 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.646 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -63.17 145.82 54.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -135.8 154.94 51.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.98 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 43.6 t -129.54 116.57 39.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.99 161.53 0.36 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.6 30.63 0.47 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 109.954 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -154.19 -138.37 2.62 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.547 1.154 . . . . 0.0 111.002 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.47 -40.21 2.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 109.975 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -99.28 40.31 1.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.312 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.411 ' HA ' ' O ' ' A' ' 58' ' ' TRP . 0.4 OUTLIER -115.57 150.52 36.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 110.312 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.551 HD11 ' HB3' ' A' ' 55' ' ' GLN . 23.9 tp -120.75 130.37 54.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 29.3 m -74.66 131.78 41.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 110.044 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.777 HD11 ' HB2' ' A' ' 59' ' ' PHE . 9.2 mt -107.57 143.83 35.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.671 ' HB3' ' NE2' ' A' ' 30' ' ' GLN . . . -128.59 143.81 49.8 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.646 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.01 113.54 3.82 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.516 1.798 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 108.21 24.3 6.31 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.499 1.124 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.671 ' NE2' ' HB3' ' A' ' 27' ' ' ALA . 14.8 mt-30 -121.29 172.92 7.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.577 0.81 . . . . 0.0 110.271 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 72.6 mt -126.13 139.22 53.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.6 mt -132.62 151.08 33.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.482 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 0.1 OUTLIER -106.89 115.55 30.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 43.3 mm -68.46 121.45 17.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.575 1.172 . . . . 0.0 109.34 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.561 HD11 ' HB2' ' A' ' 46' ' ' GLU . 1.3 mt -110.69 -41.75 4.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.84 155.95 47.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -132.01 164.46 26.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.321 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -140.26 150.39 44.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.5 p -60.54 -40.18 90.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.425 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.9 t -55.62 -46.61 77.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.014 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 140.93 -15.88 2.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -66.7 125.11 24.78 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 44.7 m0 -114.76 141.86 47.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 107.985 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.526 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 46.8 tt0 -109.78 97.3 6.86 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.482 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -125.58 -173.33 13.62 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.534 1.146 . . . . 0.0 110.956 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.561 ' HB2' HD11 ' A' ' 35' ' ' LEU . 14.6 tt0 -124.8 130.76 53.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 0.74 . . . . 0.0 110.282 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.584 ' CD2' ' HB3' ' A' ' 49' ' ' ALA . 0.5 OUTLIER -62.98 115.34 4.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -90.99 31.22 1.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.308 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.584 ' HB3' ' CD2' ' A' ' 47' ' ' LEU . . . -136.42 59.42 1.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -179.33 133.31 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.269 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -101.56 148.83 18.04 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.132 . . . . 0.0 110.946 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 73.44 -65.99 0.33 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 0.749 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.1 tttm -87.82 94.52 9.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.0 mmt85 -85.66 109.83 18.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 110.262 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.551 ' HB3' HD11 ' A' ' 24' ' ' LEU . 2.6 mp0 -70.42 134.68 48.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.07 129.25 11.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 109.274 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 178.67 -177.53 48.47 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.481 1.113 . . . . 0.0 111.047 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.526 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 75.6 m95 -94.02 143.98 25.87 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.777 ' HB2' HD11 ' A' ' 26' ' ' LEU . 6.1 p90 -155.02 160.1 31.21 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 111.027 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.507 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.2 Cg_endo -74.99 131.41 14.26 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.501 1.79 . . . . 0.0 110.963 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.49 -17.42 61.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.3 t -67.1 -11.17 56.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.02 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.507 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 10.5 m-70 -94.13 -23.56 17.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.591 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.54 HG12 HG22 ' A' ' 12' ' ' VAL . 2.5 m -115.65 174.29 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.9 ptmt -138.13 129.06 27.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.451 ' HA ' HD23 ' A' ' 66' ' ' LEU . 9.0 mt -62.49 132.78 53.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.3 mt -89.89 14.91 10.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 104.87 167.46 24.25 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -39.69 1.13 Allowed 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.501 1.79 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 49.7 p -136.19 -57.13 0.76 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 110.026 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 44.7 m 59.04 98.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 110.001 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.81 128.72 36.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.57 157.9 23.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -163.24 82.26 0.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.6 m -51.55 135.65 27.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.945 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -106.22 147.51 16.25 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 163.84 34.56 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.492 1.785 . . . . 0.0 111.018 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 84.9 p -173.13 135.08 0.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.988 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.6 t -121.05 -58.5 1.8 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.061 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 179.969 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.4 t -65.37 -59.17 4.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 0.765 . . . . 0.0 109.991 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.1 112.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.986 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.96 157.68 25.46 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.447 1.092 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.0 p -93.28 153.94 18.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 0.758 . . . . 0.0 109.948 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.8 t -150.34 154.26 37.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.428 1.08 . . . . 0.0 109.974 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.526 ' HA3' HD21 ' A' ' 33' ' ' LEU . . . -178.25 156.81 20.21 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.447 1.092 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -65.11 112.21 3.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 0.763 . . . . 0.0 110.319 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.5 mm -91.64 150.76 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -133.62 141.57 47.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -100.9 118.71 37.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.582 HG11 ' C ' ' A' ' 27' ' ' ALA . 85.1 t -62.9 129.91 26.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 69.5 p -112.57 -23.14 10.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.408 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -139.21 132.81 30.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.991 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.651 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -64.13 143.3 57.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -132.53 155.02 49.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.955 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.8 t -128.32 111.68 24.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.7 160.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.27 -50.37 2.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.969 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -88.99 -133.58 4.79 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.534 1.146 . . . . 0.0 110.98 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.41 -42.91 2.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.751 . . . . 0.0 110.013 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.459 ' O ' ' CA ' ' A' ' 57' ' ' GLY . 1.0 OUTLIER -71.17 -15.41 62.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.085 . . . . 0.0 110.3 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.415 ' HA ' ' O ' ' A' ' 58' ' ' TRP . 8.1 mp0 -65.8 151.42 46.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.466 HD11 ' HB3' ' A' ' 55' ' ' GLN . 19.1 tp -122.09 129.78 52.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.351 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 53.1 p -75.2 129.73 37.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.985 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.848 HD11 ' HB2' ' A' ' 59' ' ' PHE . 6.1 mt -106.82 151.93 24.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.582 ' C ' HG11 ' A' ' 12' ' ' VAL . . . -135.52 144.05 47.69 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.651 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.99 112.61 3.6 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.521 1.801 . . . . 0.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.31 20.39 7.47 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.59 ' NE2' HD21 ' A' ' 47' ' ' LEU . 11.9 mt-30 -118.25 175.43 5.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 0.758 . . . . 0.0 110.287 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 48' ' ' GLN . 73.6 mt -126.99 144.22 51.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.492 HG21 ' CE2' ' A' ' 59' ' ' PHE . 5.9 mt -137.62 143.8 32.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.531 HD23 ' N ' ' A' ' 34' ' ' ILE . 3.1 tt -101.38 114.7 28.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.531 ' N ' HD23 ' A' ' 33' ' ' LEU . 44.3 mm -66.9 125.68 24.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.542 HD11 ' HB2' ' A' ' 46' ' ' GLU . 2.3 mt -114.4 -35.92 4.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -147.37 146.89 29.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.349 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -127.63 128.82 46.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 37.7 t-20 -87.93 170.13 11.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.0 t -94.78 13.6 24.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.373 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.58 -34.55 5.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.008 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 142.2 -22.04 2.43 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.52 1.137 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -69.31 127.47 33.17 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.551 ' CD2' ' HB2' ' A' ' 61' ' ' ALA . 44.7 m0 -115.18 140.36 49.15 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.525 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 43.6 tt0 -108.15 98.18 7.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.346 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.426 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -130.3 -170.18 12.65 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.479 1.112 . . . . 0.0 110.976 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.542 ' HB2' HD11 ' A' ' 35' ' ' LEU . 12.0 tt0 -125.87 134.87 51.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 0.769 . . . . 0.0 110.262 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.869 HD13 HE21 ' A' ' 55' ' ' GLN . 0.3 OUTLIER -64.73 111.03 2.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 31' ' ' LEU . 97.6 mm-40 -91.74 36.19 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.692 ' HB3' ' CD2' ' A' ' 47' ' ' LEU . . . -128.44 142.72 51.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 60.17 154.42 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -125.74 110.86 1.37 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.504 1.127 . . . . 0.0 111.015 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.42 -48.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 0.788 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -140.15 118.71 12.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.423 1.077 . . . . 0.0 109.284 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.8 mmt85 -64.97 89.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.869 HE21 HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -64.54 123.72 19.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.9 127.34 14.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.459 ' CA ' ' O ' ' A' ' 22' ' ' GLU . . . -177.02 -170.38 39.41 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.501 1.126 . . . . 0.0 110.981 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.525 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 85.1 m95 -101.43 143.12 31.84 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.848 ' HB2' HD11 ' A' ' 26' ' ' LEU . 8.6 p90 -155.11 159.03 32.14 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.475 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.2 Cg_endo -75.02 131.18 13.97 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.501 1.79 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.551 ' HB2' ' CD2' ' A' ' 43' ' ' TRP . . . -71.48 -17.74 62.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 54.4 m -67.5 -10.77 54.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.968 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.475 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 7.8 m-70 -95.38 -18.06 21.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.6 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.519 HG12 HG22 ' A' ' 12' ' ' VAL . 2.8 m -122.64 175.82 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.12 128.18 23.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.105 . . . . 0.0 109.292 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.524 HD23 ' HA ' ' A' ' 66' ' ' LEU . 8.5 mt -62.45 135.61 57.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.6 mt -89.28 15.51 8.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 49.89 -155.89 2.23 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.44 1.088 . . . . 0.0 111.029 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 126.33 9.87 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.491 1.785 . . . . 0.0 111.033 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.5 t -131.66 -56.08 1.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.002 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.32 -51.18 68.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.023 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 59.34 160.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -111.47 -42.2 3.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.254 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 53.07 98.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.62 138.39 42.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 110.006 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -166.39 -76.72 0.03 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.559 1.162 . . . . 0.0 111.041 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 79.54 2.66 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.481 1.78 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 87.4 p -60.11 139.39 57.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 110.013 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.49 162.04 15.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.014 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.501 1.125 . . . . 0.0 111.015 -179.981 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.2 p -60.38 153.33 23.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 0.779 . . . . 0.0 109.999 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.03 82.88 0.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.965 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.05 165.93 31.41 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.531 1.144 . . . . 0.0 111.029 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -176.8 171.08 2.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 0.793 . . . . 0.0 110.013 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 m -89.03 -59.6 2.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 110.019 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.532 ' HA3' HD21 ' A' ' 33' ' ' LEU . . . -67.19 145.27 45.93 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.52 116.96 5.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 0.78 . . . . 0.0 110.273 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 22.8 mm -98.43 147.46 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -134.15 136.64 43.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -99.98 121.96 42.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.338 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.575 HG11 ' C ' ' A' ' 27' ' ' ALA . 89.4 t -64.44 130.82 29.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.409 HG21 ' HB3' ' A' ' 65' ' ' LYS . 11.7 p -115.04 -18.14 11.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.423 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.89 132.08 23.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.995 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.661 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -65.44 144.68 56.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -137.07 154.66 50.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.994 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 97.0 t -123.0 103.62 13.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -40.52 145.18 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.3 m -126.26 51.49 1.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.991 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 170.23 -160.99 34.03 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.499 1.124 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.95 -26.78 13.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.974 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.507 ' O ' ' CA ' ' A' ' 57' ' ' GLY . 4.9 pt-20 -90.77 -24.4 20.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.378 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.413 ' HA ' ' O ' ' A' ' 58' ' ' TRP . 15.2 mp0 -63.36 152.24 38.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.55 HD11 ' HB3' ' A' ' 55' ' ' GLN . 20.3 tp -123.53 129.42 51.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.0 m -73.8 135.17 43.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.986 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.785 HD11 ' HB2' ' A' ' 59' ' ' PHE . 12.9 mt -110.73 143.44 41.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.659 ' HB3' ' NE2' ' A' ' 30' ' ' GLN . . . -127.35 143.1 46.01 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.661 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.96 112.05 3.47 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.49 1.784 . . . . 0.0 111.011 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 109.29 26.55 5.12 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.452 1.095 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.659 ' NE2' ' HB3' ' A' ' 27' ' ' ALA . 14.3 mt-30 -124.25 175.54 6.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 0.754 . . . . 0.0 110.338 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 72.3 mt -127.43 147.23 50.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.336 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.435 ' CG1' ' HA ' ' A' ' 47' ' ' LEU . 5.2 mt -139.8 153.34 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.16 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.532 HD21 ' HA3' ' A' ' 7' ' ' GLY . 0.4 OUTLIER -108.93 115.39 29.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 41.8 mm -68.62 116.88 9.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.562 HD11 ' HB2' ' A' ' 46' ' ' GLU . 2.1 mt -105.02 -45.0 4.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -135.07 160.34 38.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.2 mttp -130.33 168.78 16.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -140.22 159.61 41.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.4 p -90.83 53.22 2.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 110.386 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.98 -41.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.012 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 145.91 -17.41 1.77 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.492 1.12 . . . . 0.0 110.96 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -73.85 115.81 13.73 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 38.6 m0 -112.17 144.6 41.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 108.0 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.526 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 44.2 tt0 -110.55 97.9 7.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.447 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -129.45 -172.97 13.27 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.119 . . . . 0.0 111.039 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.562 ' HB2' HD11 ' A' ' 35' ' ' LEU . 17.3 tt0 -123.55 135.52 54.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.71 ' CD2' ' HB3' ' A' ' 49' ' ' ALA . 0.3 OUTLIER -68.08 112.58 5.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -90.66 30.34 1.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.327 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.71 ' HB3' ' CD2' ' A' ' 47' ' ' LEU . . . -122.27 131.3 53.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.148 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.3 ttm180 -44.19 149.37 0.36 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 171.13 -156.71 26.95 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.516 1.135 . . . . 0.0 110.966 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -49.64 -60.49 2.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 109.335 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -158.38 -173.85 4.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -65.78 88.18 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 110.345 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.55 ' HB3' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -59.93 134.98 57.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.337 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.94 126.7 8.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.507 ' CA ' ' O ' ' A' ' 22' ' ' GLU . . . -178.97 -169.63 39.83 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.513 1.133 . . . . 0.0 110.955 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.526 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 86.9 m95 -98.62 144.13 28.25 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.785 ' HB2' HD11 ' A' ' 26' ' ' LEU . 5.8 p90 -155.39 157.0 31.56 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.954 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.475 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.4 Cg_endo -74.94 132.63 15.73 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.433 1.754 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.76 -18.02 62.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 72.5 m -67.54 -11.36 57.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.991 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.475 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 8.1 m-70 -95.62 -18.05 20.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.606 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.41 HG12 HG22 ' A' ' 12' ' ' VAL . 2.0 m -121.1 174.84 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.409 ' HB3' HG21 ' A' ' 13' ' ' THR . 0.5 OUTLIER -138.32 126.59 23.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.527 ' HA ' HD23 ' A' ' 66' ' ' LEU . 8.9 mt -63.56 133.31 53.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 20.0 mt -93.69 16.27 14.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.79 -166.07 15.64 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.485 1.116 . . . . 0.0 110.961 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -40.87 0.78 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.49 1.784 . . . . 0.0 111.033 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.6 m -177.81 -55.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.987 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.9 t -59.64 111.28 1.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.985 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.535 ' O ' ' C ' ' A' ' 73' ' ' ARG . 0.3 OUTLIER -73.71 -17.42 61.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.535 ' C ' ' O ' ' A' ' 72' ' ' GLU . 11.8 ptt180 27.23 60.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 110.283 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.03 96.36 9.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.98 162.12 7.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.984 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 101.51 82.18 1.64 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.503 1.127 . . . . 0.0 110.959 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 59.62 5.23 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.491 1.785 . . . . 0.0 110.998 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.68 126.16 30.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.031 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.03 -58.92 1.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.113 . . . . 0.0 110.016 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.074 0 O-C-N 124.529 1.143 . . . . 0.0 110.989 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.34 126.55 7.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 0.761 . . . . 0.0 110.056 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.4 t -148.94 161.74 41.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 110.04 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.62 109.5 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.483 1.115 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.7 p -69.24 152.41 45.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 109.992 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.8 m -115.6 122.48 45.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 109.984 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.629 ' HA3' HD21 ' A' ' 33' ' ' LEU . . . -85.61 115.93 4.25 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.556 1.16 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.5 mp0 -52.45 133.89 35.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 0.769 . . . . 0.0 110.326 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.6 mm -105.98 144.46 15.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.45 ' HB1' ' CG2' ' A' ' 64' ' ' VAL . . . -131.66 135.59 47.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -100.41 122.19 42.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.608 HG11 ' C ' ' A' ' 27' ' ' ALA . 90.1 t -62.0 132.81 27.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 75.9 p -115.61 -27.07 7.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.431 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.25 131.1 39.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 110.048 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.642 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -65.52 143.28 57.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -130.26 153.46 48.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 78.8 t -127.64 89.43 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.307 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.02 146.77 4.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.0 m -88.82 -59.07 2.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.953 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 150.36 100.21 0.21 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.468 1.105 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 167.37 56.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 0.738 . . . . 0.0 110.01 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 69.12 17.19 8.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 110.319 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.44 ' HA ' ' O ' ' A' ' 58' ' ' TRP . 8.7 mt-30 -86.55 159.39 19.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 110.294 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.615 HD11 ' HB3' ' A' ' 55' ' ' GLN . 21.3 tp -126.06 129.84 49.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.335 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.7 m -70.0 153.46 43.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.118 . . . . 0.0 109.983 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.626 HD11 ' HB2' ' A' ' 59' ' ' PHE . 18.2 mt -127.67 140.66 51.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.647 ' HB3' HE21 ' A' ' 30' ' ' GLN . . . -127.58 142.41 44.03 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.642 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.94 111.99 3.45 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.46 1.769 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.86 24.21 5.6 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.133 . . . . 0.0 110.969 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.647 HE21 ' HB3' ' A' ' 27' ' ' ALA . 12.8 mt-30 -122.68 174.99 6.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.327 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 74.5 mt -127.49 146.32 50.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.537 HG21 ' CE2' ' A' ' 59' ' ' PHE . 5.8 mt -138.54 152.01 24.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.629 HD21 ' HA3' ' A' ' 7' ' ' GLY . 0.8 OUTLIER -107.16 117.35 33.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.35 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.518 HG21 ' HE2' ' A' ' 37' ' ' LYS . 39.9 mm -71.51 111.63 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.65 HD11 ' HB2' ' A' ' 46' ' ' GLU . 2.1 mt -99.39 -48.2 4.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.151 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.05 159.82 40.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.518 ' HE2' HG21 ' A' ' 34' ' ' ILE . 25.1 mttt -129.91 169.29 15.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 39' ' ' THR . 36.6 t30 -138.45 162.29 34.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.451 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 13.4 p -91.38 52.49 2.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 110.422 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.9 -41.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.02 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 145.16 -17.58 1.92 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.529 1.143 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -73.35 110.15 7.41 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 41.0 m0 -105.57 140.83 38.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 107.974 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.537 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 51.3 tt0 -105.35 94.29 5.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.47 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -124.76 -174.91 14.13 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.539 1.149 . . . . 0.0 111.023 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.65 ' HB2' HD11 ' A' ' 35' ' ' LEU . 15.8 tt0 -125.23 129.95 51.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 0.76 . . . . 0.0 110.31 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.672 ' CD2' ' HB3' ' A' ' 49' ' ' ALA . 0.4 OUTLIER -61.31 113.74 2.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.357 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -90.59 33.07 0.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.334 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.672 ' HB3' ' CD2' ' A' ' 47' ' ' LEU . . . -131.33 70.96 1.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.143 . . . . 0.0 109.34 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 177.61 157.74 0.38 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -137.86 49.05 0.86 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.3 ttmm -171.4 -51.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 0.751 . . . . 0.0 109.323 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.9 tptt -115.52 105.36 12.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.8 mmt85 -80.76 97.25 7.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.615 ' HB3' HD11 ' A' ' 24' ' ' LEU . 3.1 mp0 -62.61 132.64 53.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.346 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.7 129.65 12.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 109.245 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.414 ' CA ' ' HB2' ' A' ' 24' ' ' LEU . . . 179.47 -173.88 45.72 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.122 . . . . 0.0 110.999 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.537 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 86.4 m95 -97.69 119.12 35.7 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.626 ' HB2' HD11 ' A' ' 26' ' ' LEU . 7.7 p90 -128.03 155.94 77.03 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.458 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.3 Cg_endo -75.0 132.24 15.19 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.491 1.785 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 64' ' ' VAL . . . -72.4 -21.86 61.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.88 -12.98 28.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.023 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.458 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 8.9 m-70 -93.54 -22.99 18.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.587 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.46 HG12 HG22 ' A' ' 12' ' ' VAL . 1.6 m -115.06 176.0 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.3 pttt -138.88 129.69 26.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.4 mt -59.8 140.96 56.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 mt -100.96 13.78 34.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -120.8 86.7 0.4 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.539 1.149 . . . . 0.0 110.978 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -38.35 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.519 1.799 . . . . 0.0 111.027 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.6 t -149.14 -61.43 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.997 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.87 158.24 15.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.996 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -110.84 80.47 1.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 58.82 166.96 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 76' ' ' GLY . . . -134.61 151.69 51.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.5 m 63.75 -77.56 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.999 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 115.66 -162.82 12.4 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.536 1.147 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 152.68 41.35 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.52 1.8 . . . . 0.0 111.029 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.11 -56.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.998 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 58.0 m -67.5 120.45 13.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.003 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.535 1.147 . . . . 0.0 110.972 -179.99 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.2 p -88.96 100.01 12.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 0.766 . . . . 0.0 110.016 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.46 88.18 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.012 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.4 144.32 4.79 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.461 1.101 . . . . 0.0 111.026 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -92.95 127.81 38.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 0.765 . . . . 0.0 110.0 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.32 105.37 4.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.989 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.2 -178.39 35.33 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.445 1.091 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -74.02 115.72 13.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.584 HD13 ' O ' ' A' ' 32' ' ' ILE . 8.6 mm -92.84 143.44 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -124.69 136.25 53.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.416 ' HB3' HD21 ' A' ' 67' ' ' LEU . 21.7 tt0 -96.49 110.82 23.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.595 HG11 ' C ' ' A' ' 27' ' ' ALA . 97.0 t -56.55 134.69 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 73.8 p -115.23 -25.64 7.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.353 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.412 ' HB2' ' ND1' ' A' ' 63' ' ' HIS . 3.0 m -133.88 140.96 47.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.978 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.589 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -71.49 141.22 50.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.473 ' O ' ' N ' ' A' ' 26' ' ' LEU . 63.4 t80 -144.07 130.97 20.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 110.966 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.446 ' O ' HG22 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -115.81 102.31 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.558 ' HB1' ' HB3' ' A' ' 23' ' ' GLN . . . -44.21 165.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.252 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.4 p -136.46 -45.81 0.61 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.983 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.476 ' H ' ' NE2' ' A' ' 23' ' ' GLN . . . -63.22 -144.08 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.452 1.095 . . . . 0.0 111.037 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.35 -36.36 3.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 0.783 . . . . 0.0 110.031 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.5 mp0 -98.34 32.95 2.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.349 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.558 ' HB3' ' HB1' ' A' ' 18' ' ' ALA . 0.8 OUTLIER -113.13 154.35 26.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.541 HD11 ' HB3' ' A' ' 55' ' ' GLN . 32.3 tp -125.68 132.29 52.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.7 p -76.43 143.96 40.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.976 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.605 HD11 ' HB2' ' A' ' 59' ' ' PHE . 12.9 mt -118.91 148.29 43.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.698 ' HB3' ' NE2' ' A' ' 30' ' ' GLN . . . -132.58 143.04 47.09 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.589 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.06 114.47 4.03 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.476 1.777 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.41 18.47 8.57 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.451 1.095 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.698 ' NE2' ' HB3' ' A' ' 27' ' ' ALA . 17.1 mt-30 -115.49 -179.88 3.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 0.765 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.1 mt -135.7 134.85 39.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.295 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.584 ' O ' HD13 ' A' ' 9' ' ' ILE . 5.9 mt -128.1 152.11 35.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.667 HD23 HD21 ' A' ' 35' ' ' LEU . 6.9 tp -105.97 118.58 36.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 47.3 mm -71.62 116.98 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.667 HD21 HD23 ' A' ' 33' ' ' LEU . 3.8 mt -106.18 -53.19 2.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -125.37 146.51 49.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.9 mttp -123.07 167.65 13.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 109.342 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -136.24 164.79 27.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.9 t -94.06 19.44 9.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 110.388 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.9 m -117.72 -39.24 3.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 110.025 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 141.65 -14.95 2.68 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.443 1.089 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 89.4 m95 -76.96 125.96 30.18 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.975 -1.121 . . . . 0.0 107.975 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 40.4 m0 -117.16 142.99 46.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 108.007 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.525 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 47.7 tt0 -110.55 96.75 6.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.345 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.446 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -125.39 -177.21 14.81 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.124 . . . . 0.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.497 ' CG ' ' O ' ' A' ' 55' ' ' GLN . 4.0 tt0 -124.91 127.99 47.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 0.759 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.728 HD22 ' HB3' ' A' ' 49' ' ' ALA . 0.5 OUTLIER -58.2 126.77 28.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -91.14 29.28 1.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.31 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.728 ' HB3' HD22 ' A' ' 47' ' ' LEU . . . -130.46 164.8 24.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.1 mmt-85 58.23 106.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 110.341 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.46 165.0 50.35 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.483 1.114 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 70.91 -69.58 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 0.759 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.21 92.61 0.41 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -84.03 89.2 7.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.143 . . . . 0.0 110.281 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.541 ' HB3' HD11 ' A' ' 24' ' ' LEU . 1.4 mp0 -62.67 132.25 51.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.04 124.1 4.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -174.4 -166.47 32.46 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.525 1.141 . . . . 0.0 110.969 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.525 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 85.1 m95 -103.46 142.06 34.9 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.605 ' HB2' HD11 ' A' ' 26' ' ' LEU . 7.2 p90 -154.96 159.86 31.44 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 111.007 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 131.02 13.87 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.53 1.805 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.38 -17.43 62.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.9 m -67.16 -12.87 61.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 110.018 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.412 ' ND1' ' HB2' ' A' ' 14' ' ' SER . 4.6 m-70 -93.19 -12.07 31.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.572 1.17 . . . . 0.0 109.629 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.464 HG12 HG22 ' A' ' 12' ' ' VAL . 2.4 m -127.27 175.3 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.99 125.16 18.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.523 HD23 ' HA ' ' A' ' 66' ' ' LEU . 8.9 mt -60.05 133.3 55.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.416 HD21 ' HB3' ' A' ' 11' ' ' GLN . 8.5 mt -91.7 14.09 16.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.73 174.13 35.73 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.561 1.163 . . . . 0.0 111.03 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 109.6 2.96 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.49 1.784 . . . . 0.0 111.02 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.25 -63.13 1.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.007 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 43.59 80.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.978 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -55.56 116.46 2.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 110.306 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 54.4 mtm180 48.05 87.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 110.292 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -132.75 -57.67 0.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.19 92.15 2.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.012 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 100.2 118.48 4.22 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -52.13 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.529 1.805 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 78.1 p -174.52 152.16 1.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.991 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 84.6 p -179.34 120.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.027 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.568 1.167 . . . . 0.0 110.951 -179.981 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.9 p -102.77 98.39 8.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 0.75 . . . . 0.0 110.012 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -160.15 98.9 1.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.991 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.43 -173.28 19.15 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.0 t 59.28 81.26 0.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 0.748 . . . . 0.0 109.994 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.49 76.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.016 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.505 ' HA3' HD11 ' A' ' 33' ' ' LEU . . . -72.0 120.77 8.11 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.547 1.154 . . . . 0.0 111.016 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -73.87 122.3 22.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 0.769 . . . . 0.0 110.288 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.616 HD13 ' O ' ' A' ' 32' ' ' ILE . 11.0 mm -97.38 140.85 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -125.07 137.49 54.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -98.08 111.36 23.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.613 HG11 ' C ' ' A' ' 27' ' ' ALA . 86.6 t -55.54 134.53 19.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.8 p -114.86 -27.0 7.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.41 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.418 ' HB2' ' ND1' ' A' ' 63' ' ' HIS . 2.3 m -133.69 138.43 45.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 110.004 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.641 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -70.13 142.8 52.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.422 ' O ' ' N ' ' A' ' 26' ' ' LEU . 66.5 t80 -145.65 128.55 16.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.113 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.558 ' O ' HG22 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -115.54 94.84 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.577 ' HB1' ' CB ' ' A' ' 23' ' ' GLN . . . -41.01 160.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -161.34 46.23 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.982 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -135.91 -112.53 1.2 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.453 1.096 . . . . 0.0 111.024 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.36 -64.91 0.63 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 0.748 . . . . 0.0 110.003 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.3 mp0 -100.17 49.34 0.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.577 ' CB ' ' HB1' ' A' ' 18' ' ' ALA . 1.3 mt-30 -116.14 148.38 40.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.44 HD11 ' HB3' ' A' ' 55' ' ' GLN . 25.7 tp -119.54 132.57 55.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.3 p -76.56 147.61 37.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.065 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.769 HD11 ' CD1' ' A' ' 59' ' ' PHE . 41.0 mt -118.51 156.84 28.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.613 ' C ' HG11 ' A' ' 12' ' ' VAL . . . -140.05 141.14 25.83 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.641 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.97 113.09 3.71 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.529 1.805 . . . . 0.0 111.019 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.8 22.69 6.2 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.467 1.105 . . . . 0.0 110.957 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.626 HE22 HD11 ' A' ' 47' ' ' LEU . 12.1 mt-30 -119.62 -179.96 4.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 0.741 . . . . 0.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.2 mt -135.7 135.74 40.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.616 ' O ' HD13 ' A' ' 9' ' ' ILE . 5.7 mt -128.75 154.85 40.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.127 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.505 HD11 ' HA3' ' A' ' 7' ' ' GLY . 9.0 tp -109.03 115.85 30.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 41.6 mm -69.99 112.15 4.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.439 HD21 HD23 ' A' ' 33' ' ' LEU . 2.9 mt -99.04 -47.3 5.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.41 150.57 52.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.6 mttp -126.64 168.74 13.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -138.01 171.39 14.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 109.266 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.1 t -99.93 21.79 12.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.407 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.42 -39.94 2.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.987 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 141.53 -15.37 2.7 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.445 1.09 . . . . 0.0 110.952 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 83.7 m95 -77.94 126.31 30.64 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 40.0 m0 -116.81 141.63 47.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.168 . . . . 0.0 108.025 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.533 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 48.9 tt0 -108.53 96.07 6.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.451 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -126.22 -177.04 14.71 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.469 ' CG ' ' O ' ' A' ' 55' ' ' GLN . 2.8 tt0 -124.59 131.04 53.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 0.739 . . . . 0.0 110.34 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.72 HD22 ' HB3' ' A' ' 49' ' ' ALA . 0.9 OUTLIER -60.61 126.9 29.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.1 mm-40 -90.29 28.5 1.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.299 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.72 ' HB3' HD22 ' A' ' 47' ' ' LEU . . . -134.85 114.81 12.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.49 170.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 110.355 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 165.33 -150.39 18.09 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.09 -61.41 1.0 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 0.735 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -161.84 165.97 27.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.6 mmt-85 -40.0 109.07 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 110.257 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.469 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 3.1 mp0 -80.5 131.36 35.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.339 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.55 124.56 0.82 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -174.62 -168.08 34.87 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.519 1.137 . . . . 0.0 111.032 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.533 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 81.5 m95 -104.85 119.24 38.52 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.769 ' CD1' HD11 ' A' ' 26' ' ' LEU . 16.3 p90 -131.16 161.57 60.94 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.413 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.3 Cg_endo -75.0 129.2 12.12 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.54 1.811 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.91 -19.41 62.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.6 m -65.37 -10.64 34.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.993 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.418 ' ND1' ' HB2' ' A' ' 14' ' ' SER . 10.8 m-70 -97.02 -1.91 44.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.595 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.531 HG12 HG22 ' A' ' 12' ' ' VAL . 2.5 m -137.81 176.21 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.16 129.41 22.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.475 ' HA ' HD23 ' A' ' 66' ' ' LEU . 8.9 mt -61.45 135.3 57.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mt -91.32 13.94 15.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 54.51 -154.36 9.1 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 114.11 3.95 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.501 1.79 . . . . 0.0 110.962 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.7 t -143.89 -56.75 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.034 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.3 p -45.9 124.26 5.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.999 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -59.51 117.92 5.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.282 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 87.6 mtt-85 -80.59 116.93 20.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.107 . . . . 0.0 110.32 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -140.07 135.77 32.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.8 m -45.26 128.36 7.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.953 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -101.18 -171.4 28.47 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 139.4 24.21 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.493 1.786 . . . . 0.0 111.028 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 26.5 p -74.01 137.4 43.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 110.007 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.99 -58.51 3.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 O-C-N 124.459 1.1 . . . . 0.0 110.997 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.5 p -123.18 125.16 44.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 0.749 . . . . 0.0 110.016 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.4 p -106.96 156.94 18.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.028 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.8 -102.64 0.22 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.446 1.091 . . . . 0.0 110.996 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.0 m -114.5 -61.24 1.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 0.789 . . . . 0.0 110.003 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.2 t 64.38 126.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.035 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.475 ' HA3' HD21 ' A' ' 33' ' ' LEU . . . -105.34 -178.31 24.14 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -71.38 108.6 4.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 0.784 . . . . 0.0 110.301 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.493 HD13 ' O ' ' A' ' 32' ' ' ILE . 11.0 mm -88.85 141.61 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -127.83 129.89 47.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -94.65 121.19 35.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.664 HG11 ' C ' ' A' ' 27' ' ' ALA . 97.6 t -59.07 134.04 24.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.701 HG21 ' HB3' ' A' ' 65' ' ' LYS . 69.1 p -114.99 -11.16 12.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.423 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 m -157.92 136.85 11.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.038 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.681 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -64.91 148.69 50.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -138.61 157.08 46.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 84.6 t -128.05 108.19 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -40.85 153.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.264 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.65 -48.01 2.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 110.006 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.44 -137.73 3.22 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -119.58 -41.25 2.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 0.723 . . . . 0.0 110.031 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.411 ' O ' ' CA ' ' A' ' 57' ' ' GLY . 4.3 mp0 -81.24 -3.82 53.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.422 ' HA ' ' O ' ' A' ' 58' ' ' TRP . 8.5 mp0 -69.8 155.93 39.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 110.332 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.588 HD11 ' HB3' ' A' ' 55' ' ' GLN . 23.4 tp -123.65 130.97 53.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 55.1 p -75.94 129.26 36.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 109.988 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.708 HD21 ' CG ' ' A' ' 59' ' ' PHE . 12.4 mt -101.43 160.5 14.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.814 ' HB3' ' NE2' ' A' ' 30' ' ' GLN . . . -146.18 143.04 18.36 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.681 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.99 112.47 3.57 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.492 1.785 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 107.36 27.28 5.34 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.814 ' NE2' ' HB3' ' A' ' 27' ' ' ALA . 18.2 mt-30 -127.33 162.49 26.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 110.312 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 53.1 mt -113.79 147.37 38.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.327 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.493 ' O ' HD13 ' A' ' 9' ' ' ILE . 6.1 mt -140.34 152.73 21.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.507 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 0.1 OUTLIER -108.89 114.04 27.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.589 HG21 ' HE3' ' A' ' 37' ' ' LYS . 46.0 mm -65.65 125.97 23.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.549 HD12 ' HA2' ' A' ' 45' ' ' GLY . 1.8 mt -117.61 -50.52 2.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.463 ' HB3' ' CZ2' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -125.49 145.74 49.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.589 ' HE3' HG21 ' A' ' 34' ' ' ILE . 4.6 mttp -132.35 151.89 51.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.435 ' OD1' ' N ' ' A' ' 39' ' ' THR . 37.5 t30 -124.89 165.42 18.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.435 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 20.2 p -87.99 51.31 2.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.402 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.422 ' HB2' ' ND2' ' A' ' 38' ' ' ASN . 0.5 OUTLIER -153.61 -41.53 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.979 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 144.43 -16.57 2.06 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.401 ' HA ' ' O ' ' A' ' 59' ' ' PHE . 94.5 m95 -70.45 112.0 6.41 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.408 ' O ' ' N ' ' A' ' 59' ' ' PHE . 46.5 m0 -115.04 142.48 46.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 107.958 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.613 ' HB2' ' CD2' ' A' ' 58' ' ' TRP . 3.1 tt0 -112.11 106.34 14.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.549 ' HA2' HD12 ' A' ' 35' ' ' LEU . . . -132.49 -177.12 14.72 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.498 1.124 . . . . 0.0 111.031 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.431 ' CG ' ' O ' ' A' ' 55' ' ' GLN . 10.4 tt0 -118.09 126.64 52.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 0.741 . . . . 0.0 110.289 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.71 ' CD2' ' HB3' ' A' ' 49' ' ' ALA . 0.4 OUTLIER -59.78 111.7 1.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -90.77 33.84 0.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.087 . . . . 0.0 110.3 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.71 ' HB3' ' CD2' ' A' ' 47' ' ' LEU . . . -129.83 150.11 51.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 58.7 156.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 110.292 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -133.63 109.41 0.81 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.482 1.114 . . . . 0.0 111.023 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -179.13 -53.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 0.771 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.93 113.88 18.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.568 1.168 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -61.34 94.67 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 110.243 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.588 ' HB3' HD11 ' A' ' 24' ' ' LEU . 6.1 mp0 -74.92 129.04 36.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 110.322 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -163.02 126.86 2.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.435 ' CA ' ' HB2' ' A' ' 24' ' ' LEU . . . 175.43 174.53 42.1 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.613 ' CD2' ' HB2' ' A' ' 44' ' ' GLN . 64.1 m95 -80.82 145.34 31.46 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.708 ' CG ' HD21 ' A' ' 26' ' ' LEU . 8.5 p90 -154.96 161.5 29.3 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 111.029 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.502 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.4 Cg_endo -74.95 129.72 12.65 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.529 1.805 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.465 ' HA ' HG22 ' A' ' 64' ' ' VAL . . . -70.57 -26.81 63.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 74.1 m -56.68 -18.38 12.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.001 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.502 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 50.1 m-70 -93.85 -2.37 53.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.605 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.465 HG22 ' HA ' ' A' ' 61' ' ' ALA . 1.3 m -132.92 175.05 12.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.701 ' HB3' HG21 ' A' ' 13' ' ' THR . 0.1 OUTLIER -142.53 122.93 13.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.153 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 66' ' ' LEU . 8.9 mt -59.14 132.47 54.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.42 HD12 HG22 ' A' ' 9' ' ' ILE . 28.9 mt -93.7 16.43 13.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.96 157.28 24.22 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -48.51 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.497 1.788 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.7 t -134.09 -53.33 0.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.989 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.7 t 70.94 -70.74 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.985 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 77.93 119.54 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.3 ptt180 -104.18 158.35 16.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.264 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.61 91.1 5.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 46.8 t -132.36 -58.06 0.94 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.968 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 169.99 95.35 0.1 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.477 1.111 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 162.79 36.56 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.503 1.791 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 61.4 p -178.7 161.43 1.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.004 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 10.7 t -157.62 157.3 33.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.996 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 -179.98 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.2 p -98.11 -53.74 3.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 0.792 . . . . 0.0 109.985 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.8 t 44.38 83.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.045 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.44 94.38 0.66 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.529 1.143 . . . . 0.0 110.965 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.5 t 73.78 -66.25 0.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 0.759 . . . . 0.0 109.99 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.1 m 62.97 91.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.979 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.86 152.53 23.6 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.48 1.112 . . . . 0.0 110.99 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.79 127.05 31.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 0.777 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.469 HD13 ' O ' ' A' ' 32' ' ' ILE . 5.7 mm -105.85 145.64 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -132.83 133.93 43.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.427 ' CB ' HD21 ' A' ' 67' ' ' LEU . 21.1 tt0 -94.53 115.78 28.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.692 HG11 ' C ' ' A' ' 27' ' ' ALA . 86.5 t -54.55 133.83 17.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.47 ' CG2' ' HB3' ' A' ' 65' ' ' LYS . 53.9 p -114.33 -21.23 10.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.383 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.419 ' HB2' ' ND1' ' A' ' 63' ' ' HIS . 1.7 m -143.5 137.77 28.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 110.015 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.571 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -66.89 138.76 57.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.467 ' O ' ' N ' ' A' ' 26' ' ' LEU . 68.7 t80 -142.89 130.88 21.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 111.032 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.535 ' O ' HG22 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -115.56 97.58 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.662 ' HB1' ' CB ' ' A' ' 23' ' ' GLN . . . -44.69 167.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.8 p -126.34 -47.23 1.6 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 109.982 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.44 ' H ' ' NE2' ' A' ' 23' ' ' GLN . . . -63.59 -155.23 0.1 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.545 1.153 . . . . 0.0 111.027 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.4 m -111.65 -25.49 9.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 0.782 . . . . 0.0 109.952 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.445 ' O ' ' CA ' ' A' ' 57' ' ' GLY . 27.9 mp0 -92.56 -20.86 20.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.662 ' CB ' ' HB1' ' A' ' 18' ' ' ALA . 0.8 OUTLIER -66.19 153.27 42.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 110.273 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.586 HD11 ' HB3' ' A' ' 55' ' ' GLN . 24.1 tp -123.18 133.19 54.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.3 m -78.44 141.4 38.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.949 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.622 HD22 HD13 ' A' ' 32' ' ' ILE . 15.3 mt -114.68 146.49 40.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.692 ' C ' HG11 ' A' ' 12' ' ' VAL . . . -130.78 143.05 47.77 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.339 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.571 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -75.03 114.09 3.94 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.487 1.783 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.92 15.68 10.61 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.482 1.114 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.58 ' NE2' HD21 ' A' ' 47' ' ' LEU . 16.5 mt-30 -116.8 173.88 6.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 0.77 . . . . 0.0 110.276 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 44.0 mt -127.68 143.67 51.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.085 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.622 HD13 HD22 ' A' ' 26' ' ' LEU . 5.5 mt -134.58 143.65 37.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.251 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.451 ' C ' HD23 ' A' ' 33' ' ' LEU . 3.8 tt -101.16 113.8 27.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.992 HG21 ' HE3' ' A' ' 37' ' ' LYS . 39.0 mm -65.98 125.33 22.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.35 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.57 HD11 ' HB2' ' A' ' 46' ' ' GLU . 7.7 mt -112.14 -32.81 6.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.06 144.79 31.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.992 ' HE3' HG21 ' A' ' 34' ' ' ILE . 70.2 mttt -132.19 146.75 52.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.402 ' OD1' ' C ' ' A' ' 38' ' ' ASN . 37.4 p-10 -138.7 168.85 18.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.2 t -80.61 -32.87 36.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.412 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.39 -41.96 9.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.145 . . . . 0.0 110.016 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 124.14 -0.26 8.95 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 75.4 m95 -97.02 132.8 42.47 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.568 ' CD1' ' HG2' ' A' ' 37' ' ' LYS . 35.1 m0 -116.99 142.3 47.13 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.516 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 36.8 tt0 -113.39 101.46 9.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.421 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -131.09 -163.67 11.0 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.459 1.1 . . . . 0.0 110.98 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.57 ' HB2' HD11 ' A' ' 35' ' ' LEU . 0.7 OUTLIER -131.88 130.54 41.78 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.49 0.759 . . . . 0.0 110.281 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.652 ' CD2' ' HB3' ' A' ' 49' ' ' ALA . 0.3 OUTLIER -60.95 111.62 1.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -90.52 28.05 1.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.332 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.652 ' HB3' ' CD2' ' A' ' 47' ' ' LEU . . . -121.74 133.63 54.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 59.75 155.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.289 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -101.94 -134.43 8.43 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.552 1.158 . . . . 0.0 110.956 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 76.18 -58.28 0.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 0.766 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -148.0 145.12 28.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.415 1.072 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 68.8 mmt-85 -88.54 88.23 7.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.331 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.586 ' HB3' HD11 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -54.08 114.9 1.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.291 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.33 132.78 39.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.445 ' CA ' ' O ' ' A' ' 22' ' ' GLU . . . 175.44 -173.22 46.11 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.516 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 74.2 m95 -99.58 145.53 27.43 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.584 ' CD1' HD11 ' A' ' 26' ' ' LEU . 6.3 p90 -155.23 159.85 31.39 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 111.03 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 131.18 14.01 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.519 1.8 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.49 -14.15 61.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.5 t -71.57 -9.22 57.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.007 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.419 ' ND1' ' HB2' ' A' ' 14' ' ' SER . 6.5 m-70 -97.34 -16.97 20.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.576 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.516 ' CG1' HD13 ' A' ' 26' ' ' LEU . 2.4 m -120.13 173.17 6.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.47 ' HB3' ' CG2' ' A' ' 13' ' ' THR . 4.6 ttpt -139.48 125.71 20.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.499 ' HA ' HD23 ' A' ' 66' ' ' LEU . 8.7 mt -58.49 134.21 56.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.427 HD21 ' CB ' ' A' ' 11' ' ' GLN . 8.9 mt -89.94 13.57 14.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.18 154.77 4.51 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.551 1.157 . . . . 0.0 110.983 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 100.04 1.31 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.512 1.796 . . . . 0.0 111.019 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.4 m -154.42 -61.25 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.996 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 62.1 162.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.02 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.52 141.4 29.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -123.43 150.52 43.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -131.11 111.39 11.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.14 145.53 35.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.036 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -125.05 -164.29 11.84 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 128.94 11.87 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.489 1.783 . . . . 0.0 110.984 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 63.4 p -65.84 123.31 19.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.952 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.8 m 63.62 166.13 0.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.118 . . . . 0.0 110.006 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.13 . . . . 0.0 110.977 179.954 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t 62.99 90.96 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 0.769 . . . . 0.0 110.026 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.5 p -159.16 148.55 18.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.014 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.16 123.64 0.85 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.1 m -55.58 -64.58 0.8 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 0.766 . . . . 0.0 110.034 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.11 110.36 3.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.032 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.523 ' HA3' HD21 ' A' ' 33' ' ' LEU . . . 161.29 130.08 1.09 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.41 118.03 5.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 0.791 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.453 ' HA ' HD13 ' A' ' 9' ' ' ILE . 17.3 mm -98.99 141.46 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -128.58 135.52 49.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.273 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -98.11 118.32 34.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.312 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.58 HG11 ' C ' ' A' ' 27' ' ' ALA . 78.9 t -60.94 131.98 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 79.9 p -114.78 -21.77 10.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.4 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -140.0 128.85 23.31 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.132 . . . . 0.0 110.005 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.677 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -62.6 147.29 49.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -139.44 153.79 47.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 46.9 t -125.95 105.73 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -40.72 146.66 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.71 54.44 1.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.978 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -171.54 -138.93 2.65 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.482 1.114 . . . . 0.0 111.025 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.79 -39.12 2.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 0.749 . . . . 0.0 110.033 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -106.14 40.0 1.68 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 110.321 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.405 ' HA ' ' O ' ' A' ' 58' ' ' TRP . 2.5 mp0 -113.01 147.32 37.42 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 110.258 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.735 HD11 ' HB3' ' A' ' 55' ' ' GLN . 33.8 tp -119.0 129.81 55.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.3 p -71.91 134.48 46.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.994 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.729 HD11 ' HB2' ' A' ' 59' ' ' PHE . 11.2 mt -108.73 144.58 36.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.657 ' HB3' ' NE2' ' A' ' 30' ' ' GLN . . . -130.63 142.8 46.83 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.677 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.0 111.81 3.41 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.454 1.765 . . . . 0.0 110.97 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.36 20.26 6.71 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.523 1.139 . . . . 0.0 111.023 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.657 ' NE2' ' HB3' ' A' ' 27' ' ' ALA . 15.8 mt-30 -117.65 -178.36 3.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 0.777 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 70.7 mt -134.49 145.99 49.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.506 HG21 ' CE2' ' A' ' 59' ' ' PHE . 5.7 mt -140.32 145.52 25.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.108 . . . . 0.0 109.346 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.523 HD21 ' HA3' ' A' ' 7' ' ' GLY . 0.6 OUTLIER -101.33 112.96 25.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.543 HG21 ' CE ' ' A' ' 37' ' ' LYS . 48.5 mm -65.21 123.24 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.4 HD11 ' HB2' ' A' ' 46' ' ' GLU . 9.1 mt -109.35 -56.72 2.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.96 143.83 50.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.543 ' CE ' HG21 ' A' ' 34' ' ' ILE . 8.0 mttt -125.28 170.07 11.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.598 HD21 ' N ' ' A' ' 42' ' ' TRP . 0.5 OUTLIER -146.37 -173.08 4.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.7 p -112.51 36.68 3.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.402 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.493 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 0.2 OUTLIER -131.05 -40.96 1.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.027 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.44 ' O ' ' HA ' ' A' ' 60' ' ' PRO . . . 134.49 -8.14 4.64 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.486 1.116 . . . . 0.0 110.966 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.598 ' N ' HD21 ' A' ' 38' ' ' ASN . 93.3 m95 -85.67 96.71 9.78 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.552 ' CD2' ' HB2' ' A' ' 61' ' ' ALA . 38.1 m0 -92.53 140.47 29.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 108.003 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.52 ' HB2' ' CD2' ' A' ' 58' ' ' TRP . 28.3 tt0 -108.87 102.53 11.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -137.92 -174.74 13.52 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.531 1.145 . . . . 0.0 111.034 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.515 ' CG ' ' HB2' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -118.32 152.43 35.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 0.791 . . . . 0.0 110.328 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.629 ' CD2' ' HB3' ' A' ' 49' ' ' ALA . 0.3 OUTLIER -81.94 112.84 19.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.093 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -90.38 25.63 2.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.255 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.629 ' HB3' ' CD2' ' A' ' 47' ' ' LEU . . . -114.46 61.49 0.67 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 50.85 179.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.286 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 131.66 108.52 1.18 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 0.0 111.025 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt -42.54 -53.97 4.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 0.79 . . . . 0.0 109.295 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.7 108.83 20.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.49 124.17 1.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.308 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.735 ' HB3' HD11 ' A' ' 24' ' ' LEU . 41.0 mt-30 -96.15 94.5 7.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.515 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . 3.2 tptm -134.33 126.38 29.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -168.1 -179.12 40.41 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.48 1.112 . . . . 0.0 110.949 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.52 ' CD2' ' HB2' ' A' ' 44' ' ' GLN . 75.3 m95 -92.4 117.97 30.46 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.729 ' HB2' HD11 ' A' ' 26' ' ' LEU . 14.6 p90 -130.12 160.12 66.99 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.5 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.3 Cg_endo -75.06 130.26 13.05 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.485 1.781 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.552 ' HB2' ' CD2' ' A' ' 43' ' ' TRP . . . -71.17 -16.41 62.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.9 m -69.77 -8.63 49.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.994 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.5 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 9.2 m-70 -98.09 -15.67 19.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 109.612 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.562 HG12 HG22 ' A' ' 12' ' ' VAL . 2.3 m -125.69 173.48 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.573 1.171 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -136.57 133.89 36.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.461 ' HA ' HD23 ' A' ' 66' ' ' LEU . 7.9 mt -67.92 134.3 50.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.8 mt -87.21 12.04 12.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -125.46 80.8 0.36 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.515 1.135 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -37.86 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.504 1.791 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -173.9 85.76 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.035 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.3 t -83.73 125.78 32.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.003 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -129.63 92.22 3.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.333 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 1.9 mtp-105 58.8 87.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.347 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.09 96.52 0.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 39.71 90.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.008 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -76.61 -83.81 0.48 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.437 1.085 . . . . 0.0 111.034 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 134.81 18.2 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.505 1.792 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.76 -61.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.994 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.01 81.52 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.003 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.12 . . . . 0.0 111.031 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.92 -58.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 0.774 . . . . 0.0 110.027 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.3 p -91.71 110.88 22.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.973 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.67 59.67 2.61 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.3 t -178.24 102.85 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 0.777 . . . . 0.0 110.012 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.61 79.01 1.8 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.039 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.4 171.79 44.84 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.559 1.162 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -76.06 124.51 27.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 0.792 . . . . 0.0 110.284 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.562 HD13 ' O ' ' A' ' 32' ' ' ILE . 12.5 mm -100.1 146.29 9.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -133.02 133.89 43.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 109.253 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.543 ' CB ' HD21 ' A' ' 67' ' ' LEU . 15.0 tt0 -94.48 117.25 29.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.271 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.65 HG11 ' C ' ' A' ' 27' ' ' ALA . 88.9 t -57.67 134.07 22.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.451 ' CG2' ' HB3' ' A' ' 65' ' ' LYS . 63.4 p -114.74 -20.39 10.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.433 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.2 m -143.59 136.26 27.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.053 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.619 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -66.7 145.57 55.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.484 ' O ' ' N ' ' A' ' 26' ' ' LEU . 75.1 t80 -149.46 130.8 14.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -112.88 111.15 34.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.17 158.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.406 ' H ' ' NE2' ' A' ' 23' ' ' GLN . 4.3 p -156.3 40.29 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.979 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -147.58 -145.54 4.19 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.518 1.136 . . . . 0.0 110.977 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.05 -29.58 7.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 0.757 . . . . 0.0 109.995 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.98 53.11 1.52 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.406 ' NE2' ' H ' ' A' ' 19' ' ' SER . 26.8 mt-30 -128.0 143.23 51.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.286 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.54 HD11 ' HB3' ' A' ' 55' ' ' GLN . 33.3 tp -116.14 130.74 56.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 55.9 p -74.88 141.03 44.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.16 . . . . 0.0 110.0 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.725 HD21 ' CG ' ' A' ' 59' ' ' PHE . 14.4 mt -112.1 152.93 27.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.727 ' HB3' HE21 ' A' ' 30' ' ' GLN . . . -138.57 140.35 27.53 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.619 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.96 114.07 3.94 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.547 1.814 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.07 20.76 7.37 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.727 HE21 ' HB3' ' A' ' 27' ' ' ALA . 11.6 mt-30 -119.0 177.76 4.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 0.0 110.314 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 85.6 mt -131.59 138.66 48.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.313 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.562 ' O ' HD13 ' A' ' 9' ' ' ILE . 5.6 mt -131.23 152.38 37.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.43 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 11.1 tp -108.89 118.05 35.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.167 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 30.8 mm -70.65 124.5 26.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.9 -47.46 3.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.84 147.69 51.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -127.46 132.24 50.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.437 ' OD1' ' N ' ' A' ' 39' ' ' THR . 51.0 t-20 -98.46 155.88 17.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.437 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 7.7 t -82.26 4.01 25.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.4 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.414 ' HB2' ' ND2' ' A' ' 38' ' ' ASN . 0.4 OUTLIER -98.26 -31.65 11.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.021 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 132.94 -13.34 5.01 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.484 1.115 . . . . 0.0 110.966 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.431 ' HH2' ' HH ' ' A' ' 16' ' ' TYR . 80.8 m95 -79.08 129.5 34.52 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 43.0 m0 -114.87 141.54 47.78 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 108.011 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.527 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 49.9 tt0 -108.45 95.27 5.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.43 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -122.65 -179.75 15.94 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.529 1.143 . . . . 0.0 111.019 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.489 ' CG ' ' O ' ' A' ' 55' ' ' GLN . 3.0 tt0 -126.12 121.85 34.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 0.754 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.551 ' CD2' ' HB3' ' A' ' 49' ' ' ALA . 0.4 OUTLIER -51.09 126.54 16.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.6 mm-40 -90.7 29.55 1.3 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 110.335 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.551 ' HB3' ' CD2' ' A' ' 47' ' ' LEU . . . -137.74 110.13 7.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.0 mtt85 -41.77 141.1 0.87 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.443 ' O ' ' CB ' ' A' ' 52' ' ' LYS . . . -168.37 66.94 0.18 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.455 1.097 . . . . 0.0 111.019 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.443 ' CB ' ' O ' ' A' ' 51' ' ' GLY . 1.0 OUTLIER 83.63 -65.65 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 0.739 . . . . 0.0 109.326 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.0 tptt -142.33 147.26 36.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -45.94 105.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.276 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.54 ' HB3' HD11 ' A' ' 24' ' ' LEU . 0.8 OUTLIER -66.01 137.57 57.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.271 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -166.39 125.19 1.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -175.47 -174.56 42.16 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.482 1.114 . . . . 0.0 111.014 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.527 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 85.1 m95 -99.67 114.61 27.81 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.725 ' CG ' HD21 ' A' ' 26' ' ' LEU . 12.3 p90 -122.93 160.83 47.63 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.469 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.1 Cg_endo -75.01 129.94 12.8 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.485 1.782 . . . . 0.0 110.999 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.16 -19.51 62.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 109.292 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.0 m -65.29 -10.88 36.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.962 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.469 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 10.7 m-70 -95.94 -21.93 17.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.595 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.6 m -114.25 172.75 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.271 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.451 ' HB3' ' CG2' ' A' ' 13' ' ' THR . 0.8 OUTLIER -143.4 125.4 15.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.552 HD13 ' HB3' ' A' ' 69' ' ' PRO . 8.6 mt -54.69 134.12 47.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.543 HD21 ' CB ' ' A' ' 11' ' ' GLN . 9.6 mt -90.66 14.75 12.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 125.96 100.9 1.23 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.536 1.148 . . . . 0.0 110.955 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.552 ' HB3' HD13 ' A' ' 66' ' ' LEU . 18.4 Cg_endo -75.0 175.33 11.38 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.455 1.766 . . . . 0.0 111.035 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.7 t -148.58 133.19 17.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 109.993 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.3 t -140.71 164.06 31.22 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.438 1.086 . . . . 0.0 109.976 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.54 78.28 5.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 23.8 mmt85 51.28 96.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 110.328 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -117.62 133.51 55.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.5 m -116.78 -55.63 2.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 0.0 110.017 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 100.13 156.31 28.03 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 175.11 11.67 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.492 1.785 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.6 m -134.78 123.22 23.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.0 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.8 m -75.01 157.96 34.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.993 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 179.983 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.4 m -84.31 89.15 7.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 0.75 . . . . 0.0 110.035 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.77 -57.76 2.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.977 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.4 -156.34 20.39 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.537 1.148 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.9 p -175.15 157.46 2.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 0.788 . . . . 0.0 110.013 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.3 149.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.036 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.55 170.47 22.21 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -81.52 115.4 20.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 0.765 . . . . 0.0 110.299 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.582 HD13 ' O ' ' A' ' 32' ' ' ILE . 10.6 mm -88.19 140.86 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -124.82 139.8 53.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.421 ' O ' HG23 ' A' ' 13' ' ' THR . 21.7 tt0 -101.2 117.7 35.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.282 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.598 HG11 ' C ' ' A' ' 27' ' ' ALA . 87.3 t -60.22 127.41 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 11' ' ' GLN . 55.0 p -111.89 -9.57 14.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 0.0 110.381 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -155.14 132.79 11.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 110.007 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.663 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -63.34 147.72 50.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.481 ' HH ' ' HH2' ' A' ' 42' ' ' TRP . 57.3 t80 -138.71 156.2 47.6 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.516 1.135 . . . . 0.0 110.946 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 57.2 t -125.0 109.23 21.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.483 ' HB1' ' HB3' ' A' ' 23' ' ' GLN . . . -42.08 162.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.08 -51.07 2.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.99 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 22' ' ' GLU . . . 161.75 -43.18 0.38 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.507 1.13 . . . . 0.0 110.98 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.409 ' C ' ' N ' ' A' ' 23' ' ' GLN . 0.0 OUTLIER -63.11 77.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.755 . . . . 0.0 109.976 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 20' ' ' GLY . 1.7 tt0 41.57 27.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.328 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.483 ' HB3' ' HB1' ' A' ' 18' ' ' ALA . 2.2 mp0 -62.32 172.73 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.566 HD11 ' HB3' ' A' ' 55' ' ' GLN . 9.9 tp -139.73 126.43 20.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.15 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.471 ' N ' HD12 ' A' ' 24' ' ' LEU . 10.6 m -74.92 123.46 25.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 110.022 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.866 HD11 ' HB2' ' A' ' 59' ' ' PHE . 9.0 mt -103.83 148.54 26.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.785 ' HB3' HE21 ' A' ' 30' ' ' GLN . . . -132.26 144.32 52.57 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.663 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.05 111.62 3.37 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.512 1.796 . . . . 0.0 111.003 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.69 19.97 7.12 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.785 HE21 ' HB3' ' A' ' 27' ' ' ALA . 13.0 mt-30 -118.53 169.73 9.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 110.268 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 81.4 mt -122.46 142.14 50.88 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.808 HG13 HD12 ' A' ' 47' ' ' LEU . 6.9 mt -135.23 153.6 34.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.452 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 6.8 tp -110.73 115.6 29.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.938 HG21 ' HE3' ' A' ' 37' ' ' LYS . 38.7 mm -67.43 123.15 19.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.578 HD12 ' HA2' ' A' ' 45' ' ' GLY . 1.0 OUTLIER -111.26 -33.91 6.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 109.275 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 44' ' ' GLN . 0.0 OUTLIER -147.13 153.69 40.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.938 ' HE3' HG21 ' A' ' 34' ' ' ILE . 13.3 mttp -129.08 163.0 26.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -138.56 152.57 48.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.158 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 41.1 p -68.03 -32.38 72.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.431 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.5 t -62.12 -45.36 93.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.032 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 140.68 -13.18 2.93 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.481 ' HH2' ' HH ' ' A' ' 16' ' ' TYR . 98.5 m95 -73.21 127.17 31.84 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.592 ' CD2' ' HB2' ' A' ' 61' ' ' ALA . 42.9 m0 -115.26 142.99 45.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 108.044 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.524 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 46.3 tt0 -111.88 97.97 7.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 110.262 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.578 ' HA2' HD12 ' A' ' 35' ' ' LEU . . . -131.42 -172.47 13.1 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.458 1.099 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.448 ' HB2' HD11 ' A' ' 35' ' ' LEU . 1.6 tt0 -128.3 134.59 48.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 0.792 . . . . 0.0 110.329 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.808 HD12 HG13 ' A' ' 32' ' ' ILE . 7.7 tp -69.93 140.5 53.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -110.95 66.07 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.281 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -151.14 161.95 41.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.03 132.43 47.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.27 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -171.2 168.11 41.25 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -45.17 -61.47 1.63 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 0.745 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -135.12 135.95 41.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.0 mtt85 -41.95 104.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.27 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.566 ' HB3' HD11 ' A' ' 24' ' ' LEU . 1.7 mp0 -56.43 129.8 42.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.69 128.65 8.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.31 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.412 ' CA ' ' HB2' ' A' ' 24' ' ' LEU . . . 176.77 -171.12 44.04 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.54 1.15 . . . . 0.0 111.008 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.524 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 82.0 m95 -94.4 138.36 32.44 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.866 ' HB2' HD11 ' A' ' 26' ' ' LEU . 5.9 p90 -151.04 158.51 34.71 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.437 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.4 Cg_endo -74.98 131.72 14.64 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.497 1.788 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.592 ' HB2' ' CD2' ' A' ' 43' ' ' TRP . . . -73.17 -12.07 60.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -72.39 -13.5 61.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.993 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.437 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 8.2 m-70 -92.77 -20.46 20.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.57 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.417 HG12 HG22 ' A' ' 12' ' ' VAL . 2.4 m -119.94 175.39 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -136.96 132.69 34.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.449 ' HA ' HD23 ' A' ' 66' ' ' LEU . 8.3 mt -67.14 134.13 51.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.8 mt -93.47 13.65 21.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.62 -165.83 36.1 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.512 1.132 . . . . 0.0 110.961 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 141.21 26.25 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.48 1.779 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.6 t -126.42 86.18 2.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.019 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 38.7 t -110.32 140.46 44.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.023 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.7 115.42 3.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.261 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 67.4 mtt180 -128.16 124.94 38.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.423 1.077 . . . . 0.0 110.309 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -123.96 149.77 45.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.94 134.84 0.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.036 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.36 146.31 49.75 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 175.74 10.83 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.525 1.803 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 73.4 m -153.16 157.96 41.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.956 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 60.7 p -162.52 166.62 24.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.993 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.47 1.106 . . . . 0.0 110.966 179.959 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.5 m 61.61 117.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 0.735 . . . . 0.0 110.03 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -158.35 -57.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.018 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.05 96.77 0.28 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.542 1.151 . . . . 0.0 111.028 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.5 -62.58 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 0.739 . . . . 0.0 109.998 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.26 95.55 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.935 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.94 146.58 6.35 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -71.89 119.11 15.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 0.77 . . . . 0.0 110.26 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.453 HD13 ' HA ' ' A' ' 9' ' ' ILE . 10.7 mm -92.39 144.06 10.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -134.86 130.22 35.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.423 ' CB ' HD21 ' A' ' 67' ' ' LEU . 26.3 tt0 -93.56 121.22 34.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.662 HG11 ' C ' ' A' ' 27' ' ' ALA . 99.8 t -58.26 136.29 21.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.464 ' CG2' ' HB3' ' A' ' 65' ' ' LYS . 63.0 p -115.2 -28.31 6.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.374 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -140.12 133.08 29.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.039 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.682 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -61.97 142.22 57.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -132.93 155.43 49.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 111.028 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 52.4 t -129.71 108.51 16.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.466 ' HB1' ' HB3' ' A' ' 23' ' ' GLN . . . -58.72 177.42 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.72 -46.96 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.095 . . . . 0.0 109.968 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.11 -160.03 0.35 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.87 -22.14 13.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 0.762 . . . . 0.0 109.995 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.5 41.27 2.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.466 ' HB3' ' HB1' ' A' ' 18' ' ' ALA . 47.2 mt-30 -115.44 152.48 32.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.266 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.559 HD11 ' HB3' ' A' ' 55' ' ' GLN . 23.2 tp -124.5 129.4 50.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 86.6 p -73.6 132.07 42.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.989 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.817 HD11 ' HB2' ' A' ' 59' ' ' PHE . 10.7 mt -110.84 150.15 29.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.662 ' C ' HG11 ' A' ' 12' ' ' VAL . . . -135.59 145.76 54.65 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.682 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.97 110.82 3.19 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.47 1.774 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 120.09 -4.09 12.69 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.631 ' O ' HG23 ' A' ' 12' ' ' VAL . 17.7 mt-30 -109.73 150.02 28.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.746 . . . . 0.0 110.307 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.63 HD23 ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -106.74 153.89 21.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.783 HD13 HD22 ' A' ' 26' ' ' LEU . 4.4 mt -136.45 136.74 48.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.496 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 5.7 tp -87.98 115.04 25.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 33.7 mm -67.94 132.09 32.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.582 1.176 . . . . 0.0 109.283 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.404 ' HG ' ' HA2' ' A' ' 45' ' ' GLY . 0.8 OUTLIER -114.72 -42.21 3.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -138.95 166.03 25.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 48.1 mttt -133.01 156.05 48.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.436 ' OD1' ' CB ' ' A' ' 40' ' ' SER . 18.2 t-20 -128.56 159.27 36.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.9 p -80.34 -22.78 41.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 110.404 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.436 ' CB ' ' OD1' ' A' ' 38' ' ' ASN . 7.3 m -76.43 -27.67 56.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.021 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 122.42 -1.08 10.43 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.507 1.13 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.406 ' O ' ' CB ' ' A' ' 38' ' ' ASN . 91.0 m95 -81.68 121.05 25.89 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 40.0 m0 -109.29 142.74 39.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 108.002 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.565 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 40.1 tt0 -110.93 98.65 7.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.31 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.496 ' CA ' ' O ' ' A' ' 33' ' ' LEU . . . -126.34 -171.26 13.1 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.483 1.114 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -130.87 127.08 37.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 0.785 . . . . 0.0 110.307 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.452 ' HA ' ' CG1' ' A' ' 32' ' ' ILE . 1.0 OUTLIER -50.06 128.86 19.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -89.67 27.0 1.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.304 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -170.31 -174.6 1.74 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 61.58 117.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.322 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.47 135.14 12.04 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.445 1.091 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -173.29 -60.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 0.809 . . . . 0.0 109.326 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -170.27 56.22 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 38.73 85.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.113 . . . . 0.0 110.268 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.559 ' HB3' HD11 ' A' ' 24' ' ' LEU . 0.9 OUTLIER -54.23 127.76 28.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 110.262 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -157.45 123.75 4.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -173.86 -175.67 41.71 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.474 1.109 . . . . 0.0 110.989 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.565 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 86.2 m95 -99.58 129.03 45.7 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.817 ' HB2' HD11 ' A' ' 26' ' ' LEU . 5.7 p90 -138.8 160.85 61.38 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.466 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.3 Cg_endo -74.99 131.44 14.31 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.516 1.798 . . . . 0.0 111.017 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.472 ' HA ' HG22 ' A' ' 64' ' ' VAL . . . -70.93 -17.45 62.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.9 -10.42 53.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.006 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.466 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 8.6 m-70 -96.95 -25.02 15.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.598 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.472 HG22 ' HA ' ' A' ' 61' ' ' ALA . 2.5 m -111.85 175.35 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.464 ' HB3' ' CG2' ' A' ' 13' ' ' THR . 0.6 OUTLIER -142.01 125.87 17.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 66' ' ' LEU . 8.6 mt -61.92 133.47 55.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.423 HD21 ' CB ' ' A' ' 11' ' ' GLN . 19.1 mt -89.01 14.78 9.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.424 1.078 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 56.2 -155.57 12.93 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.507 1.129 . . . . 0.0 111.048 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 131.36 14.18 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.478 1.778 . . . . 0.0 111.005 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.5 p -140.95 -51.11 0.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.133 . . . . 0.0 110.021 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 95.7 p -56.45 111.18 0.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.016 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -124.75 125.47 44.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.5 mmt-85 -132.99 128.74 37.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.27 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.73 88.53 5.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 109.266 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.5 t -153.33 136.62 15.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.996 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -38.97 145.44 0.21 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.437 1.086 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -50.33 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.445 1.761 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 25.8 m 62.16 166.07 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.027 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 66.6 m -98.73 120.83 39.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.988 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 -179.992 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.1 147.62 6.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 0.759 . . . . 0.0 109.978 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.27 118.47 36.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.119 . . . . 0.0 110.004 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.19 149.11 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.522 1.139 . . . . 0.0 111.031 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.6 m -157.81 73.32 0.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.764 . . . . 0.0 110.013 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.35 71.3 0.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.979 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.716 ' HA3' HD21 ' A' ' 33' ' ' LEU . . . -92.21 156.71 23.65 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -90.11 126.18 35.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 0.756 . . . . 0.0 110.308 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.2 mm -90.99 146.64 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -129.79 132.01 46.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.432 ' HB2' HD11 ' A' ' 67' ' ' LEU . 1.9 tt0 -97.15 120.14 36.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.66 HG11 ' C ' ' A' ' 27' ' ' ALA . 85.2 t -56.78 133.62 21.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.45 ' CG2' ' HB3' ' A' ' 65' ' ' LYS . 71.5 p -117.08 -10.76 10.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.411 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -155.8 131.85 10.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.972 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.611 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -64.29 143.39 57.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -132.91 154.17 50.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 44.1 t -127.12 101.01 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.422 ' HB1' ' HB2' ' A' ' 23' ' ' GLN . . . -59.73 141.94 54.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.491 ' H ' ' NE2' ' A' ' 23' ' ' GLN . 1.1 t -82.51 -60.58 2.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.987 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 150.79 91.1 0.08 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.561 1.163 . . . . 0.0 111.005 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.461 ' CB ' ' OE1' ' A' ' 23' ' ' GLN . 0.1 OUTLIER 173.2 59.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 0.774 . . . . 0.0 109.985 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 58' ' ' TRP . 0.6 OUTLIER 68.33 18.31 9.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.304 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.491 ' NE2' ' H ' ' A' ' 19' ' ' SER . 3.4 mt-30 -86.02 162.92 18.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.611 HD23 ' HD2' ' A' ' 59' ' ' PHE . 7.4 tp -129.62 132.3 46.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.417 ' N ' HD12 ' A' ' 24' ' ' LEU . 7.2 p -76.64 136.97 39.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.953 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.687 HD11 ' HB2' ' A' ' 59' ' ' PHE . 17.5 mt -111.76 146.7 37.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.787 ' HB3' HE21 ' A' ' 30' ' ' GLN . . . -132.4 141.77 42.49 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.611 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.98 114.75 4.1 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.446 1.761 . . . . 0.0 110.974 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.35 19.17 8.12 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 0.0 110.94 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.803 ' HB3' HD11 ' A' ' 47' ' ' LEU . 20.0 mt-30 -118.65 178.9 4.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 0.755 . . . . 0.0 110.267 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.8 mt -132.98 138.56 46.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.265 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.893 HG13 HD12 ' A' ' 47' ' ' LEU . 8.7 mt -134.73 140.07 46.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.716 HD21 ' HA3' ' A' ' 7' ' ' GLY . 3.1 tm? -95.07 129.61 42.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.4 mm -79.34 116.39 23.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.617 ' CD2' HD12 ' A' ' 33' ' ' LEU . 0.6 OUTLIER -102.89 -54.73 2.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -127.79 153.58 46.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.8 mttp -126.09 169.03 13.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.329 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -143.47 150.48 39.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.569 HG23 ' O ' ' A' ' 39' ' ' THR . 12.9 t -83.83 52.41 2.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.409 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.62 -46.07 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.002 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.93 -19.36 1.42 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.496 1.122 . . . . 0.0 110.963 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 89.4 m95 -79.55 126.62 31.11 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.552 ' CD2' ' HB2' ' A' ' 61' ' ' ALA . 38.9 m0 -117.49 141.08 48.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 108.004 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.528 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 47.4 tt0 -104.67 95.64 6.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.563 ' HA2' HD12 ' A' ' 35' ' ' LEU . . . -128.23 -173.05 13.34 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.52 1.137 . . . . 0.0 110.975 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -132.69 132.86 42.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 110.303 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.893 HD12 HG13 ' A' ' 32' ' ' ILE . 10.0 tp -65.45 137.81 57.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 93.5 mm-40 -106.4 60.59 0.64 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -138.03 142.86 40.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.9 mtt-85 -64.36 115.59 5.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -147.72 -159.79 8.58 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.472 1.107 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -88.64 -59.76 2.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 0.755 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.64 119.41 36.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.7 mtt180 -48.59 99.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.537 ' HB3' HD11 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -53.09 117.6 3.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.087 . . . . 0.0 110.3 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.19 127.92 11.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.426 ' N ' ' HB2' ' A' ' 24' ' ' LEU . . . -179.34 -166.02 34.47 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.521 1.138 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.528 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 87.1 m95 -100.29 120.35 39.79 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.687 ' HB2' HD11 ' A' ' 26' ' ' LEU . 5.9 p90 -132.52 158.67 75.07 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.14 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.428 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.2 Cg_endo -75.06 132.27 15.16 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.481 1.779 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.552 ' HB2' ' CD2' ' A' ' 43' ' ' TRP . . . -71.32 -15.77 62.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.18 -23.43 64.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 110.034 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.428 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 14.5 m-70 -86.08 -13.05 48.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.597 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.478 HG22 ' HA ' ' A' ' 61' ' ' ALA . 1.4 m -122.81 175.66 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.45 ' HB3' ' CG2' ' A' ' 13' ' ' THR . 0.1 OUTLIER -143.34 122.35 12.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.524 HD23 ' HA ' ' A' ' 66' ' ' LEU . 8.9 mt -59.94 133.11 55.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.432 HD11 ' HB2' ' A' ' 11' ' ' GLN . 28.3 mt -93.97 16.04 15.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 39.47 -144.74 0.32 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.45 1.094 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 126.69 10.12 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.476 1.777 . . . . 0.0 111.023 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 43.2 t -117.07 -59.56 1.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.003 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 68.8 m 58.88 171.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.118 . . . . 0.0 110.018 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 66.78 102.8 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.288 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -68.36 161.07 28.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.277 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -140.05 152.98 46.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.0 t 71.14 -65.73 0.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.023 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 124.37 114.15 2.06 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.128 . . . . 0.0 111.037 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 129.17 12.1 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.476 1.777 . . . . 0.0 111.016 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 49.6 p -152.22 156.79 40.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.978 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.7 t -120.23 154.2 35.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.999 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.48 1.112 . . . . 0.0 110.976 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.02 149.8 48.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 0.781 . . . . 0.0 110.021 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.0 t -122.17 -58.58 1.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.007 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.91 -118.78 3.41 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.6 t -176.26 90.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 0.782 . . . . 0.0 110.026 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.9 m -95.58 -56.99 2.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 110.002 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.568 ' HA3' HD11 ' A' ' 33' ' ' LEU . . . -124.29 139.57 12.01 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.56 107.07 4.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 0.735 . . . . 0.0 110.326 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.9 mm -80.67 145.86 8.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -123.86 146.33 48.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.349 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -108.32 111.11 22.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 110.292 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.566 HG11 ' C ' ' A' ' 27' ' ' ALA . 86.7 t -55.72 131.52 18.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.317 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.457 HG21 ' HB3' ' A' ' 65' ' ' LYS . 69.2 p -115.98 -14.9 11.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.39 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.98 128.91 15.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.018 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.662 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -62.89 145.34 55.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -138.11 151.11 47.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 111.021 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 55.6 t -125.99 101.75 8.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.1 147.69 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.3 m -88.81 -57.28 2.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.996 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 148.89 75.91 0.02 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.466 1.104 . . . . 0.0 111.032 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 176.4 77.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 0.753 . . . . 0.0 109.955 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.412 ' OE1' ' NZ ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER 52.52 32.87 12.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.321 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.41 ' HA ' ' O ' ' A' ' 58' ' ' TRP . 71.1 mt-30 -95.8 161.41 14.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.081 . . . . 0.0 110.316 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.66 HD11 ' HB3' ' A' ' 55' ' ' GLN . 10.3 tp -130.15 129.24 43.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.472 ' N ' HD12 ' A' ' 24' ' ' LEU . 21.2 m -71.46 138.15 48.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.0 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.83 HD11 ' HB2' ' A' ' 59' ' ' PHE . 12.8 mt -118.27 142.34 47.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.759 ' HB3' HE21 ' A' ' 30' ' ' GLN . . . -128.59 144.76 53.4 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.662 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.97 111.84 3.42 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.524 1.802 . . . . 0.0 111.027 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 113.0 17.33 7.9 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.496 1.122 . . . . 0.0 110.992 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.759 HE21 ' HB3' ' A' ' 27' ' ' ALA . 12.0 mt-30 -114.52 175.67 5.38 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 0.732 . . . . 0.0 110.304 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.0 mt -131.55 141.61 49.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.851 HG13 HD12 ' A' ' 47' ' ' LEU . 6.6 mt -135.52 149.9 28.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.568 HD11 ' HA3' ' A' ' 7' ' ' GLY . 5.5 tp -104.07 115.95 31.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.802 HG21 ' HE2' ' A' ' 37' ' ' LYS . 51.1 mm -67.47 122.87 19.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.578 HD12 ' HA2' ' A' ' 45' ' ' GLY . 8.0 mt -107.14 -50.38 3.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.62 158.19 43.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.802 ' HE2' HG21 ' A' ' 34' ' ' ILE . 72.0 mttt -129.01 167.89 16.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.44 ' OD1' ' N ' ' A' ' 39' ' ' THR . 35.6 t30 -138.7 163.1 33.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.44 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 3.4 p -93.25 43.89 1.13 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 110.428 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.408 ' HB2' ' ND2' ' A' ' 38' ' ' ASN . 37.8 m -143.13 -42.63 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.035 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 145.1 -15.96 1.92 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.558 1.161 . . . . 0.0 111.0 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -76.93 123.35 26.17 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.563 ' CD2' ' HB2' ' A' ' 61' ' ' ALA . 38.5 m0 -115.97 143.18 45.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 107.987 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.476 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 29.4 tt0 -108.97 110.95 22.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.133 . . . . 0.0 110.272 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.578 ' HA2' HD12 ' A' ' 35' ' ' LEU . . . -152.4 -178.84 27.47 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.561 1.163 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.416 ' O ' ' HA ' ' A' ' 32' ' ' ILE . 4.9 tm-20 -117.76 154.55 31.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 0.761 . . . . 0.0 110.327 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.851 HD12 HG13 ' A' ' 32' ' ' ILE . 10.3 tp -85.86 138.67 31.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 52.3 mm-40 -110.56 64.27 0.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -170.17 62.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.346 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 54.07 173.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 159.89 160.36 10.47 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.535 1.147 . . . . 0.0 110.98 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.0 -56.29 8.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.7 pttt -149.57 77.32 1.34 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.9 mtm180 38.69 88.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.66 ' HB3' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -53.39 103.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.266 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.475 ' HA ' HD22 ' A' ' 24' ' ' LEU . 1.4 tmtt? -136.32 134.46 37.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.424 ' N ' ' HB2' ' A' ' 24' ' ' LEU . . . 176.78 -179.33 47.81 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.476 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 80.2 m95 -89.67 120.26 30.79 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.83 ' HB2' HD11 ' A' ' 26' ' ' LEU . 9.8 p90 -132.18 158.54 75.28 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.4 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.4 Cg_endo -74.95 131.01 13.86 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.471 1.774 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.563 ' HB2' ' CD2' ' A' ' 43' ' ' TRP . . . -71.5 -14.57 62.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 62.5 m -70.21 -12.87 61.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.041 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.4 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 8.7 m-70 -95.11 -11.37 28.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.556 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.414 HG12 HG22 ' A' ' 12' ' ' VAL . 2.2 m -128.7 174.81 11.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.457 ' HB3' HG21 ' A' ' 13' ' ' THR . 7.2 ptmt -139.11 123.72 18.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 66' ' ' LEU . 8.8 mt -57.45 133.22 55.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.7 mt -94.99 14.49 21.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -156.9 83.49 0.15 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 110.17 3.07 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.491 1.785 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.91 77.77 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.991 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 83.9 p -90.56 128.87 36.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.566 1.166 . . . . 0.0 110.018 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.41 ' CG ' ' O ' ' A' ' 72' ' ' GLU . 4.1 pt-20 -88.74 59.3 5.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.267 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -44.53 144.88 0.96 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 110.31 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.37 113.59 25.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 56.1 m -153.46 169.47 23.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.051 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -75.48 153.49 44.52 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 117.64 4.97 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.473 1.775 . . . . 0.0 110.996 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 55.32 103.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.984 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.91 162.24 29.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.997 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 179.968 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.0 t 44.36 83.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 110.027 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 t -84.12 -58.38 2.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.007 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 54.93 -172.52 1.02 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 0.0 111.029 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 m -114.25 70.78 0.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 0.764 . . . . 0.0 110.017 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.2 m 46.1 68.63 0.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.123 . . . . 0.0 109.944 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.456 ' HA3' HD21 ' A' ' 33' ' ' LEU . . . -71.81 179.02 35.23 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.515 1.135 . . . . 0.0 110.94 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -88.64 117.49 27.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 0.768 . . . . 0.0 110.265 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.9 mm -90.33 144.65 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -127.28 137.84 52.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -103.78 116.34 32.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.616 HG11 ' C ' ' A' ' 27' ' ' ALA . 89.6 t -57.11 130.97 20.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.444 HG21 ' HB3' ' A' ' 65' ' ' LYS . 48.7 p -115.63 -15.36 11.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.407 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -148.31 129.4 14.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.982 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.635 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -62.24 145.45 53.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.273 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.45 ' HH ' ' HH2' ' A' ' 42' ' ' TRP . 71.1 t80 -138.49 152.68 48.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.9 t -126.54 118.99 52.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.64 132.08 40.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.7 m -140.44 52.87 1.63 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.035 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -155.86 -110.91 0.35 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.482 1.114 . . . . 0.0 110.966 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.14 -45.35 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 0.782 . . . . 0.0 110.012 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -109.42 33.06 4.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 0.0 110.287 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -94.13 165.67 12.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.319 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.612 HD23 ' HD2' ' A' ' 59' ' ' PHE . 11.3 tp -129.65 132.55 46.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.5 m -77.53 130.76 37.37 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 110.007 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.695 HD11 ' HB2' ' A' ' 59' ' ' PHE . 20.0 mt -109.47 145.22 36.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.788 ' HB3' HE21 ' A' ' 30' ' ' GLN . . . -129.56 142.34 44.94 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.635 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.1 Cg_endo -75.04 113.69 3.85 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.498 1.788 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.6 19.87 7.63 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.788 HE21 ' HB3' ' A' ' 27' ' ' ALA . 17.0 mt-30 -120.65 172.79 7.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 0.738 . . . . 0.0 110.292 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.9 mt -124.33 142.13 51.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.34 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.889 HG13 HD12 ' A' ' 47' ' ' LEU . 7.1 mt -136.96 139.01 45.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.508 HD22 ' N ' ' A' ' 34' ' ' ILE . 2.1 tm? -94.96 128.23 41.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.356 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.508 ' N ' HD22 ' A' ' 33' ' ' LEU . 36.6 mm -77.64 122.17 31.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.321 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.562 HD12 ' HA2' ' A' ' 45' ' ' GLY . 0.6 OUTLIER -107.4 -45.53 4.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.98 146.3 38.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.453 ' CE ' HG21 ' A' ' 34' ' ' ILE . 2.8 mtmt -128.39 155.07 45.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.422 ' ND2' ' HB2' ' A' ' 40' ' ' SER . 26.1 p-10 -133.5 153.13 51.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.68 HG23 ' O ' ' A' ' 39' ' ' THR . 8.1 t -81.66 50.87 1.57 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.383 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.422 ' HB2' ' ND2' ' A' ' 38' ' ' ASN . 0.1 OUTLIER -140.28 -44.72 0.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.964 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.449 ' O ' ' HA ' ' A' ' 60' ' ' PRO . . . 140.21 -10.71 3.03 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.5 1.125 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.45 ' HH2' ' HH ' ' A' ' 16' ' ' TYR . 94.0 m95 -90.6 113.13 25.08 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.406 ' CE2' ' HD3' ' A' ' 37' ' ' LYS . 35.6 m0 -105.07 141.38 36.74 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.01 -1.108 . . . . 0.0 108.01 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.527 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 52.8 tt0 -106.11 94.14 5.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.562 ' HA2' HD12 ' A' ' 35' ' ' LEU . . . -127.5 -173.52 13.51 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.469 1.106 . . . . 0.0 110.978 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -131.06 136.37 48.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 0.75 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.889 HD12 HG13 ' A' ' 32' ' ' ILE . 9.6 tp -69.35 137.48 52.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -104.27 59.15 0.71 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.251 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -153.89 171.7 18.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.64 112.82 5.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.321 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -130.05 -169.54 12.53 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.464 1.103 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -69.9 -53.95 15.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 0.779 . . . . 0.0 109.314 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.79 72.85 1.04 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 38.72 90.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.269 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.591 ' HB3' HD11 ' A' ' 24' ' ' LEU . 1.2 mp0 -52.28 127.96 23.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.336 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.46 125.44 5.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -179.39 -171.93 43.0 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.492 1.12 . . . . 0.0 111.046 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.527 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 80.2 m95 -96.84 116.8 29.79 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.695 ' HB2' HD11 ' A' ' 26' ' ' LEU . 5.4 p90 -126.61 159.38 63.93 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.961 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.485 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.3 Cg_endo -75.07 132.13 14.99 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.483 1.781 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 64' ' ' VAL . . . -71.01 -17.2 62.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 74.5 m -69.73 -9.77 55.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.035 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.485 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 12.0 m-70 -99.35 -13.8 19.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.621 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.464 ' CG1' HD13 ' A' ' 26' ' ' LEU . 1.5 m -126.4 175.16 8.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.444 ' HB3' HG21 ' A' ' 13' ' ' THR . 0.0 OUTLIER -140.17 132.94 29.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 66' ' ' LEU . 9.3 mt -67.96 133.48 49.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.2 mt -90.65 10.39 25.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.095 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 58.08 -153.35 26.59 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.522 1.139 . . . . 0.0 110.976 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 106.92 2.37 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.5 1.789 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.0 m -177.59 136.33 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.001 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -156.03 -45.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.999 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -59.6 112.55 1.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.26 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.42 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 0.0 OUTLIER 179.85 144.08 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 110.295 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 73' ' ' ARG . . . 67.56 167.47 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.07 136.92 54.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.96 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -123.87 -120.44 2.54 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.472 1.107 . . . . 0.0 110.974 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 178.95 6.59 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.488 1.783 . . . . 0.0 110.965 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 35.9 p -141.72 -58.81 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 110.025 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.3 m 66.11 93.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.004 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.487 1.117 . . . . 0.0 111.039 179.988 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.8 t -171.52 130.61 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 0.76 . . . . 0.0 110.002 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.75 97.73 3.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.0 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 39.99 68.42 0.55 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.547 1.154 . . . . 0.0 111.001 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.23 157.36 1.34 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 0.778 . . . . 0.0 110.031 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.38 83.12 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.585 1.178 . . . . 0.0 109.994 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.78 131.81 2.52 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -62.33 143.25 57.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 0.783 . . . . 0.0 110.313 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 23.2 mm -110.53 155.24 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.548 ' HA ' ' CD1' ' A' ' 67' ' ' LEU . . . -149.91 134.22 17.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -94.57 127.78 40.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.337 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.581 HG11 ' C ' ' A' ' 27' ' ' ALA . 96.2 t -66.11 130.84 31.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 51.0 p -113.25 -24.32 9.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.381 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -137.19 130.46 31.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.992 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.632 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -65.05 142.26 58.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.536 1.148 . . . . 0.0 109.326 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.422 ' HB2' ' ND1' ' A' ' 63' ' ' HIS . 64.1 t80 -133.48 153.62 51.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.968 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 39.1 t -128.94 121.83 55.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.142 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.74 154.4 11.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.307 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.24 39.98 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.988 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -147.39 -118.48 1.05 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.456 1.098 . . . . 0.0 111.046 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.73 -45.61 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 0.754 . . . . 0.0 110.03 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -108.4 42.87 1.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' A' ' 58' ' ' TRP . 0.4 OUTLIER -107.4 151.66 25.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.332 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.463 HD11 ' HB3' ' A' ' 55' ' ' GLN . 19.4 tp -122.46 129.77 52.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 90.1 p -74.24 122.18 22.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.996 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.768 HD11 ' HB2' ' A' ' 59' ' ' PHE . 11.5 mt -98.2 149.27 22.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.581 ' C ' HG11 ' A' ' 12' ' ' VAL . . . -133.36 140.84 38.37 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.632 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.96 113.76 3.87 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.478 1.778 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.35 20.67 6.91 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.499 1.125 . . . . 0.0 111.031 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.697 ' NE2' HD21 ' A' ' 47' ' ' LEU . 10.5 mt-30 -120.79 -178.62 3.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 0.74 . . . . 0.0 110.327 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 58.5 mt -133.31 145.85 50.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.55 HG21 ' CE2' ' A' ' 59' ' ' PHE . 6.0 mt -138.05 146.01 27.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.417 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 6.8 tp -103.34 115.35 30.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.511 HG21 ' CD ' ' A' ' 37' ' ' LYS . 35.5 mm -66.52 123.15 18.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.245 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.472 HD12 ' CA ' ' A' ' 45' ' ' GLY . 0.4 OUTLIER -108.2 -47.09 3.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.26 138.36 46.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.511 ' CD ' HG21 ' A' ' 34' ' ' ILE . 3.2 mtmp? -124.29 151.53 44.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 42.8 p-10 -141.24 169.04 18.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.1 t -79.79 -33.2 40.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 110.427 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.3 -44.47 11.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.015 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 126.27 -0.24 7.55 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.45 1.094 . . . . 0.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 80.7 m95 -96.32 128.77 43.54 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 36.5 m0 -112.8 142.07 45.86 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.515 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 54.6 tt0 -109.58 93.83 4.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.32 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.472 ' CA ' HD12 ' A' ' 35' ' ' LEU . . . -121.34 -175.76 15.16 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.568 1.167 . . . . 0.0 111.036 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 55' ' ' GLN . 0.8 OUTLIER -127.55 122.57 33.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 0.747 . . . . 0.0 110.259 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.697 HD21 ' NE2' ' A' ' 30' ' ' GLN . 0.4 OUTLIER -50.23 117.97 2.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 62.8 mm-40 -90.87 33.61 0.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.334 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.663 ' HB3' ' CD2' ' A' ' 47' ' ' LEU . . . -133.48 60.0 1.72 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.252 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.456 ' CG ' ' O ' ' A' ' 49' ' ' ALA . 8.5 ptt180 43.71 -167.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 143.04 176.35 17.0 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.54 1.15 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.8 tttm -40.4 -56.5 2.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 0.768 . . . . 0.0 109.311 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.12 73.35 0.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 18.9 mmt85 39.88 91.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.313 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.5 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 2.0 mm-40 -49.21 153.17 1.03 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.3 123.66 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -175.45 -179.64 46.11 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.452 1.095 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.515 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 73.9 m95 -94.85 118.35 31.63 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.768 ' HB2' HD11 ' A' ' 26' ' ' LEU . 11.2 p90 -128.62 159.99 65.1 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.523 ' HG2' ' CD2' ' A' ' 63' ' ' HIS . 18.4 Cg_endo -74.97 130.92 13.75 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.503 1.791 . . . . 0.0 110.998 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.29 -18.87 63.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.5 m -67.3 -9.3 39.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.137 . . . . 0.0 110.001 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.523 ' CD2' ' HG2' ' A' ' 60' ' ' PRO . 8.2 m-70 -97.03 -18.31 19.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.619 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.447 HG12 HG22 ' A' ' 12' ' ' VAL . 2.1 m -121.69 175.79 4.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.431 ' O ' ' HA ' ' A' ' 10' ' ' ALA . 17.1 ptmt -137.38 135.84 37.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.469 HD23 ' HA ' ' A' ' 66' ' ' LEU . 8.7 mt -78.34 132.5 37.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.717 ' N ' HD12 ' A' ' 67' ' ' LEU . 1.0 OUTLIER -88.13 11.5 16.09 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 171.56 68.47 0.04 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.535 1.147 . . . . 0.0 111.012 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 57.04 4.46 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.45 1.763 . . . . 0.0 110.972 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.438 ' HB3' ' HB3' ' A' ' 74' ' ' ALA . 0.2 OUTLIER 176.05 73.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.97 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 37.0 m -103.19 88.73 3.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 110.012 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -169.85 -40.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.473 1.108 . . . . 0.0 110.309 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 40.1 mtt-85 -140.16 -45.46 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.305 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.438 ' HB3' ' HB3' ' A' ' 70' ' ' SER . . . -63.93 -65.58 0.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.5 m 61.03 162.63 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.962 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -82.52 154.07 32.4 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.518 1.136 . . . . 0.0 110.959 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 162.11 37.55 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.501 1.79 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.27 92.39 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.036 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 12.2 p -82.67 133.23 35.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.006 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.541 1.151 . . . . 0.0 110.981 179.971 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -123.46 -53.53 1.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 0.763 . . . . 0.0 110.024 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 m -121.7 112.8 18.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.998 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 6' ' ' SER . . . -95.22 135.36 12.35 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.472 1.107 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 m 70.09 -65.17 0.33 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 0.785 . . . . 0.0 110.003 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 4' ' ' GLY . 5.2 t 76.43 165.94 0.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.96 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.71 169.36 35.22 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.476 1.11 . . . . 0.0 111.04 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -70.96 118.42 13.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 110.289 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.553 HD13 ' O ' ' A' ' 32' ' ' ILE . 12.3 mm -102.2 142.02 17.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -127.87 134.57 49.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.255 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -96.46 114.96 26.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.593 HG11 ' C ' ' A' ' 27' ' ' ALA . 89.9 t -58.08 135.27 22.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.446 HG21 ' HB3' ' A' ' 65' ' ' LYS . 71.9 p -115.82 -26.34 7.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.386 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.418 ' HB2' ' ND1' ' A' ' 63' ' ' HIS . 1.8 m -133.42 138.17 46.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.113 . . . . 0.0 110.018 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.659 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -69.75 142.63 53.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.484 ' O ' ' N ' ' A' ' 26' ' ' LEU . 72.0 t80 -145.58 130.23 18.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.976 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.556 ' O ' HG22 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -112.64 97.58 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.607 ' HB1' ' CB ' ' A' ' 23' ' ' GLN . . . -51.09 167.26 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.95 -43.35 1.98 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.974 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 23' ' ' GLN . . . -172.6 -139.33 2.81 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.478 1.112 . . . . 0.0 110.969 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 39.78 52.18 2.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 0.759 . . . . 0.0 110.031 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 43.11 38.5 1.54 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.34 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.607 ' CB ' ' HB1' ' A' ' 18' ' ' ALA . 50.8 mt-30 -79.22 173.7 12.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 110.295 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 58' ' ' TRP . 16.5 tp -141.7 129.65 21.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 m -74.76 141.67 44.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.133 . . . . 0.0 110.0 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.672 HD11 ' CD1' ' A' ' 59' ' ' PHE . 22.1 mt -116.69 153.07 32.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.593 ' C ' HG11 ' A' ' 12' ' ' VAL . . . -138.91 143.73 38.48 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.659 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.06 112.41 3.55 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.446 1.761 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.71 17.47 7.99 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.463 1.102 . . . . 0.0 111.016 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.493 ' NE2' HD21 ' A' ' 47' ' ' LEU . 13.1 mt-30 -114.42 175.44 5.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 0.778 . . . . 0.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 80.1 mt -131.23 139.43 49.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.553 ' O ' HD13 ' A' ' 9' ' ' ILE . 5.4 mt -131.32 152.64 37.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 tt -111.4 114.01 26.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.412 HG21 ' CE ' ' A' ' 37' ' ' LYS . 41.0 mm -64.14 126.85 23.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.624 HD11 ' HB2' ' A' ' 46' ' ' GLU . 7.2 mt -114.57 -49.25 2.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -134.0 159.12 41.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.359 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.412 ' CE ' HG21 ' A' ' 34' ' ' ILE . 39.7 mttt -131.52 143.42 50.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 109.365 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -105.14 -0.45 26.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 81.1 p 46.77 23.83 0.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.385 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.83 6.72 6.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.023 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.454 ' O ' ' HA ' ' A' ' 60' ' ' PRO . . . 108.93 -18.15 31.73 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.473 1.108 . . . . 0.0 111.016 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 92.9 m95 -95.59 126.26 40.75 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 32.0 m0 -118.57 141.19 48.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 107.983 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.518 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 40.3 tt0 -108.54 101.44 10.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.328 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -133.88 -171.13 12.52 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.468 1.105 . . . . 0.0 111.032 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.624 ' HB2' HD11 ' A' ' 35' ' ' LEU . 0.9 OUTLIER -125.17 131.24 53.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 0.731 . . . . 0.0 110.324 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.779 ' CD2' ' HB3' ' A' ' 49' ' ' ALA . 0.5 OUTLIER -62.98 113.07 2.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -90.73 33.9 0.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.779 ' HB3' ' CD2' ' A' ' 47' ' ' LEU . . . -124.27 140.87 52.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.36 150.41 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 164.4 -178.8 39.53 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.56 -69.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.82 -174.77 4.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.6 mmt-85 -67.33 88.61 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.316 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.421 ' O ' ' HA ' ' A' ' 46' ' ' GLU . 0.5 OUTLIER -54.71 117.63 3.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.267 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.23 128.2 33.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -178.69 -170.59 40.92 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.518 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 83.9 m95 -102.21 144.23 31.01 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.672 ' CD1' HD11 ' A' ' 26' ' ' LEU . 19.7 p90 -155.27 159.46 31.71 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 111.036 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.454 ' HA ' ' O ' ' A' ' 41' ' ' GLY . 18.1 Cg_endo -75.04 130.48 13.27 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 110.962 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.66 -15.18 62.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.82 -12.75 61.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.988 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.418 ' ND1' ' HB2' ' A' ' 14' ' ' SER . 6.1 m-70 -93.24 -16.8 24.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.621 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.485 HG12 HG22 ' A' ' 12' ' ' VAL . 2.1 m -121.0 173.23 6.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.446 ' HB3' HG21 ' A' ' 13' ' ' THR . 3.3 ptmt -138.76 127.67 23.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.499 ' HA ' HD23 ' A' ' 66' ' ' LEU . 8.8 mt -59.62 133.88 56.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.8 mt -93.36 13.67 20.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 45.74 -156.33 0.43 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.517 1.136 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 150.02 37.76 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.485 1.782 . . . . 0.0 111.042 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.7 t -160.53 -58.89 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 110.023 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.8 m -71.86 167.06 20.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.999 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -87.85 119.25 28.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.5 ptt180 -118.69 168.29 10.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.259 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.2 97.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.6 p -67.61 139.85 56.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.975 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -92.97 169.56 31.06 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 159.84 40.83 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.507 1.793 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 25.5 p 177.82 152.13 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.944 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 10.9 p -125.75 161.03 28.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.988 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.454 1.096 . . . . 0.0 111.01 179.974 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 56.87 168.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 0.782 . . . . 0.0 109.976 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -94.36 161.39 14.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.02 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.71 104.67 1.01 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.523 1.14 . . . . 0.0 110.971 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.1 t -155.48 118.12 4.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 0.776 . . . . 0.0 109.996 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -153.8 138.03 16.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.0 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.453 ' HA3' HD11 ' A' ' 33' ' ' LEU . . . -162.13 143.19 8.56 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.55 1.156 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.37 138.28 55.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 0.743 . . . . 0.0 110.242 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.45 HD13 ' O ' ' A' ' 32' ' ' ILE . 17.0 mm -110.34 147.06 14.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -131.99 128.75 39.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.255 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -90.19 114.38 26.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.323 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.637 HG11 ' C ' ' A' ' 27' ' ' ALA . 90.3 t -54.55 137.65 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.46 HG21 ' HB3' ' A' ' 65' ' ' LYS . 65.2 p -114.62 -27.74 7.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.396 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.413 ' HB2' ' ND1' ' A' ' 63' ' ' HIS . 16.5 m -134.39 147.0 50.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.014 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.462 ' HB2' ' HD3' ' A' ' 28' ' ' PRO . . . -76.22 138.26 40.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.502 ' O ' ' N ' ' A' ' 26' ' ' LEU . 60.1 t80 -145.7 132.7 20.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 111.016 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.796 ' O ' HG22 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -117.84 77.68 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.35 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 17' ' ' VAL . . . 38.56 -158.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.66 -34.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.043 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -105.8 -87.68 1.99 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.523 1.139 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.16 -75.38 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 0.789 . . . . 0.0 110.001 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.92 -13.62 17.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.284 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.457 ' HA ' ' O ' ' A' ' 58' ' ' TRP . 69.6 mt-30 -49.57 155.74 0.75 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.334 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' A' ' 55' ' ' GLN . 10.3 tp -120.31 129.01 53.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.17 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.408 ' N ' HD12 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -68.82 124.58 24.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 110.015 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.804 HD11 ' HB2' ' A' ' 59' ' ' PHE . 21.4 mt -103.32 156.1 17.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.637 ' C ' HG11 ' A' ' 12' ' ' VAL . . . -143.07 139.72 17.08 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.462 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -75.01 111.38 3.31 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.513 1.796 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 115.02 20.59 5.59 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.503 1.127 . . . . 0.0 110.963 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.534 HE21 ' HB3' ' A' ' 27' ' ' ALA . 14.7 mt-30 -120.8 -178.5 3.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 0.758 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.8 mt -135.75 140.63 44.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.49 HG21 ' CE2' ' A' ' 59' ' ' PHE . 5.0 mt -132.83 152.58 36.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.453 HD11 ' HA3' ' A' ' 7' ' ' GLY . 5.3 tp -107.06 116.74 32.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.755 HG21 ' HE2' ' A' ' 37' ' ' LYS . 42.9 mm -68.49 119.99 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.456 HD12 ' CA ' ' A' ' 45' ' ' GLY . 0.6 OUTLIER -107.1 -39.0 5.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.262 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.51 155.03 42.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.755 ' HE2' HG21 ' A' ' 34' ' ' ILE . 25.2 mttm -128.48 166.23 19.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.423 ' ND2' ' HB2' ' A' ' 40' ' ' SER . 41.1 t30 -147.29 132.55 18.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 63.3 p -44.53 -46.33 9.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.366 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.423 ' HB2' ' ND2' ' A' ' 38' ' ' ASN . 0.4 OUTLIER -46.83 -32.62 3.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.163 . . . . 0.0 110.004 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 122.64 -16.53 8.4 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.558 1.161 . . . . 0.0 111.003 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -67.51 127.25 32.03 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.563 ' CD2' ' HB2' ' A' ' 61' ' ' ALA . 45.0 m0 -114.52 140.95 48.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 107.996 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.521 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 52.6 tt0 -109.77 94.22 4.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.456 ' CA ' HD12 ' A' ' 35' ' ' LEU . . . -123.31 -177.9 15.28 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.417 ' CG ' ' HB2' ' A' ' 54' ' ' ARG . 1.4 tt0 -126.31 125.68 42.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 0.748 . . . . 0.0 110.291 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.874 HD22 ' HB3' ' A' ' 49' ' ' ALA . 0.6 OUTLIER -55.99 130.66 44.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -90.43 27.39 1.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.874 ' HB3' HD22 ' A' ' 47' ' ' LEU . . . -120.85 135.46 55.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.26 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.42 176.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.265 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 53' ' ' LYS . . . 136.46 71.29 0.06 OUTLIER Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.487 1.117 . . . . 0.0 111.047 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.409 ' N ' ' HE3' ' A' ' 52' ' ' LYS . 0.1 OUTLIER 61.73 -84.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 0.74 . . . . 0.0 109.283 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -122.43 130.41 53.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.417 ' HB2' ' CG ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -42.27 121.97 2.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.26 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.47 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 1.7 mp0 -60.33 147.92 38.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.318 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.78 125.44 3.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -172.93 -175.74 41.0 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.471 1.107 . . . . 0.0 110.967 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.521 ' CE2' ' HB2' ' A' ' 44' ' ' GLN . 80.9 m95 -101.04 108.97 20.81 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.804 ' HB2' HD11 ' A' ' 26' ' ' LEU . 14.5 p90 -118.22 156.61 50.48 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 111.016 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 132.66 15.67 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.511 1.795 . . . . 0.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.563 ' HB2' ' CD2' ' A' ' 43' ' ' TRP . . . -71.3 -9.68 58.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.8 t -76.49 -15.86 59.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.026 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.418 ' ND1' ' HB2' ' A' ' 16' ' ' TYR . 3.6 m-70 -92.08 -8.81 44.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.58 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.442 HG12 HG22 ' A' ' 12' ' ' VAL . 2.4 m -132.66 176.02 10.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.46 ' HB3' HG21 ' A' ' 13' ' ' THR . 0.0 OUTLIER -140.09 127.86 21.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.274 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.7 mt -57.4 143.87 38.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.251 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 mt -100.92 13.79 33.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.363 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -122.12 96.6 0.58 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.469 1.106 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -43.01 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.472 1.775 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 88.2 p -173.54 113.5 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.024 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.38 118.95 19.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 110.001 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -156.95 82.23 0.94 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 110.255 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.22 136.07 57.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 110.348 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -120.5 115.28 23.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.325 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.5 t -75.97 113.93 14.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 110.012 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 141.1 -177.27 21.09 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 170.04 21.3 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.478 1.778 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.6 m -137.82 164.62 28.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.138 . . . . 0.0 110.039 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.93 131.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.026 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.933 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 -179.992 . . . . . . . . 0 0 . 1 stop_ save_