data_1wic_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 1wic _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 ' 12' ' ' SER . . . . . . . . . . . . . 18.9 m . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.41 HG21 ' CE ' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -130.48 147.82 33.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.491 ' CG ' ' CE1' ' A' ' 129' ' ' HIS . 26.5 t80 -74.65 95.62 2.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.983 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.622 ' HG3' ' CE1' ' A' ' 20' ' ' HIS . 0.1 OUTLIER -58.28 92.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.432 ' H ' ' CD2' ' A' ' 20' ' ' HIS . . . -83.5 153.26 30.02 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.424 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.3 Cg_endo -75.03 -17.79 19.18 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.516 1.798 . . . . 0.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.482 ' HA ' ' CG2' ' A' ' 47' ' ' THR . 7.1 mt -120.18 -75.82 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.434 HD13 ' N ' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -111.54 132.87 54.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.319 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.622 ' CE1' ' HG3' ' A' ' 15' ' ' LYS . 14.5 m170 -80.25 155.87 27.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.616 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.476 HD13 ' CD2' ' A' ' 43' ' ' LEU . 1.4 mm -125.91 126.7 70.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.41 ' HA ' ' C ' ' A' ' 23' ' ' PRO . 0.0 OUTLIER -134.11 126.05 18.36 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.989 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.41 ' C ' ' HA ' ' A' ' 22' ' ' SER . 18.3 Cg_endo -75.04 -173.42 12.32 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 121.005 -2.498 . . . . 0.0 111.005 0.015 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.75 -81.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.5 ' O ' ' CG ' ' A' ' 132' ' ' ARG . 22.0 mt-10 -143.33 64.23 1.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -162.68 104.6 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.326 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 32.1 mt -102.99 135.5 44.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.319 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.497 ' CE1' ' HB3' ' A' ' 134' ' ' HIS . 1.6 m-85 -130.26 93.19 3.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.955 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.42 ' HE2' ' CG1' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -115.09 143.15 45.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.468 ' CG2' ' HB ' ' A' ' 82' ' ' VAL . 14.0 t -100.67 143.88 30.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.398 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.478 ' CD1' ' C ' ' A' ' 80' ' ' ILE . 0.6 OUTLIER -117.24 120.32 37.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.471 ' N ' HD11 ' A' ' 40' ' ' LEU . 12.0 mt -90.68 147.63 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.9 t -120.52 131.97 71.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.476 ' CD2' HD13 ' A' ' 21' ' ' ILE . 18.6 mt -121.35 110.6 16.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.7 m -101.17 108.49 20.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.399 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.413 ' OD1' ' OG1' ' A' ' 47' ' ' THR . 48.8 t30 -75.89 97.73 4.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.481 HG13 ' CD2' ' A' ' 20' ' ' HIS . 27.1 m -69.11 -43.67 81.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.482 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 7.5 p -49.02 163.11 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.405 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.25 14.95 29.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.417 ' HB2' ' CD ' ' A' ' 102' ' ' GLU . 77.6 m-20 -130.3 161.29 31.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.404 HG22 ' N ' ' A' ' 51' ' ' VAL . 6.7 mt -61.52 145.62 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.468 ' CG2' ' OE2' ' A' ' 102' ' ' GLU . 80.2 t -135.16 118.12 23.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.543 ' HB1' ' CE2' ' A' ' 117' ' ' PHE . . . -83.65 115.91 22.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.61 ' CE2' HD13 ' A' ' 80' ' ' ILE . 33.4 p90 -111.11 153.52 25.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.506 ' HD2' ' CE2' ' A' ' 118' ' ' TRP . 9.8 mttt -144.3 138.27 27.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.468 ' CG2' HG22 ' A' ' 80' ' ' ILE . 98.7 t -105.56 130.56 56.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.443 ' NH1' ' SD ' ' A' ' 99' ' ' MET . 4.4 mtt180 -132.43 172.5 12.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.4 t -168.85 161.4 10.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.401 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.4 p -72.53 -9.23 58.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.39 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -149.48 74.42 9.67 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -18.56 18.75 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -88.25 11.79 15.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.312 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.7 mtpp -123.49 -43.1 2.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -102.74 130.61 49.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -84.87 102.08 12.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.282 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.457 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 0.7 OUTLIER -108.07 118.93 56.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.514 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.4 OUTLIER -158.71 133.37 5.43 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 66' ' ' LYS . 18.6 Cg_endo -74.93 146.11 85.77 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 120.995 -2.502 . . . . 0.0 111.056 -0.097 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.439 ' HB3' ' O ' ' A' ' 65' ' ' VAL . 6.2 p -111.83 -7.8 14.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.993 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -147.16 98.53 3.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.107 . . . . 0.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.55 -171.02 0.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.005 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.0 t -130.43 170.83 13.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.41 1.069 . . . . 0.0 110.003 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 53.5 t -134.67 115.15 13.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 108.279 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -53.8 160.38 2.15 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.406 ' HB3' ' N ' ' A' ' 49' ' ' ASN . 18.5 Cg_endo -74.94 124.94 9.02 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.512 1.796 . . . . 0.0 111.052 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.01 29.21 26.37 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.477 1.111 . . . . 0.0 110.981 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -142.1 153.89 44.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 109.276 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.7 p -114.48 138.87 50.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.001 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.444 ' CG2' ' HB2' ' A' ' 43' ' ' LEU . 1.0 OUTLIER -104.86 171.11 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -131.18 124.08 29.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.61 HD13 ' CE2' ' A' ' 53' ' ' PHE . 5.0 mm -118.67 111.43 33.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.475 HD13 ' CD2' ' A' ' 40' ' ' LEU . 2.0 mp -82.4 145.53 8.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.482 HG11 ' CZ ' ' A' ' 96' ' ' PHE . 80.3 t -139.45 97.9 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.3 t -118.33 130.6 24.66 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.024 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 170.01 21.35 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.495 1.787 . . . . 0.0 111.02 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.592 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.419 ' OG1' ' N ' ' A' ' 90' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.419 ' N ' ' OG1' ' A' ' 89' ' ' THR . 36.0 t -67.18 122.01 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.15 -162.82 0.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.035 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -119.68 -41.8 2.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.352 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -69.11 -14.79 63.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 18.9 p-10 -63.85 131.5 47.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 96' ' ' PHE . 4.7 tpp180 -135.32 143.11 45.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 110.298 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.482 ' CZ ' HG11 ' A' ' 82' ' ' VAL . 43.9 m-85 -110.99 151.69 27.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 0.0 111.047 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.405 ' CD1' ' HB3' ' A' ' 128' ' ' GLU . 33.1 tp -131.41 145.1 51.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.452 ' CG2' ' CD1' ' A' ' 21' ' ' ILE . 3.1 mt -134.71 123.59 42.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.34 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.443 ' SD ' ' NH1' ' A' ' 56' ' ' ARG . 15.2 mtm -98.47 156.01 16.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 110.965 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -162.42 117.82 1.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -135.94 133.44 37.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.468 ' OE2' ' CG2' ' A' ' 51' ' ' VAL . 0.8 OUTLIER -71.6 127.1 31.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.318 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.57 ' HA ' ' CE1' ' A' ' 117' ' ' PHE . 24.8 mtp -87.91 171.88 10.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 111.048 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 103' ' ' MET . 2.8 mt-10 -60.99 -140.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -80.36 -88.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 23.4 m -99.21 105.17 17.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 109.968 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.63 128.51 33.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.989 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -59.86 -171.86 0.57 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.577 1.173 . . . . 0.0 110.999 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 75.3 p -142.1 53.31 1.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 0.741 . . . . 0.0 110.41 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -111.46 -172.4 19.37 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.458 1.099 . . . . 0.0 110.956 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -14.45 21.24 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -92.52 -72.72 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 112' ' ' ALA . 3.8 mm-40 -38.11 -45.86 0.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.327 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.478 ' CD2' ' HB3' ' A' ' 52' ' ' ALA . 95.7 mt -59.83 -65.69 0.64 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.15 -29.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.002 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.423 ' N ' ' C ' ' A' ' 114' ' ' LEU . 3.0 mm100 -80.14 -53.15 6.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.57 ' CE1' ' HA ' ' A' ' 103' ' ' MET . 19.7 t80 -57.45 -36.73 71.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 0.0 111.001 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . 0.506 ' CE2' ' HD2' ' A' ' 54' ' ' LYS . 52.0 m95 -74.3 -9.35 58.51 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.76 -27.29 14.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.403 ' CG ' ' N ' ' A' ' 121' ' ' VAL . 0.4 OUTLIER -91.16 -42.07 10.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.436 ' CG1' ' O ' ' A' ' 117' ' ' PHE . 8.3 p -69.21 122.28 84.85 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.478 ' HG2' ' CG ' ' A' ' 125' ' ' LYS . 18.2 Cg_endo -74.98 145.48 31.57 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.489 1.784 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.74 -25.62 4.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -68.13 -28.13 67.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.478 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 34.4 mmtt -92.65 -19.75 21.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 50.5 t -75.11 111.33 11.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.349 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' MET . . . . . 0.424 ' SD ' ' HD2' ' A' ' 17' ' ' PRO . 33.6 ttp -87.37 113.84 23.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.968 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.405 ' HB3' ' CD1' ' A' ' 97' ' ' LEU . 19.0 mt-10 -102.16 133.71 46.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.324 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . 0.491 ' CE1' ' CG ' ' A' ' 14' ' ' PHE . 32.2 t60 -129.39 112.03 13.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.647 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 2.6 mtm180 -88.75 131.71 34.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.303 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.59 163.11 12.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.5 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -123.4 157.26 33.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.328 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 34.2 m -108.91 125.05 51.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 108.319 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . 0.497 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.597 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.7 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.459 HG23 ' CE ' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -130.75 145.4 35.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.444 1.09 . . . . 0.0 109.317 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.685 ' CG ' ' CE1' ' A' ' 129' ' ' HIS . 24.1 t80 -74.12 96.17 2.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.611 ' HG3' ' CE1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -58.84 96.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.454 ' H ' ' CD2' ' A' ' 20' ' ' HIS . . . -87.88 154.69 25.9 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.507 1.129 . . . . 0.0 111.027 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.451 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.3 Cg_endo -74.98 -20.14 17.21 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.492 1.785 . . . . 0.0 111.02 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.45 ' HA ' ' CG2' ' A' ' 47' ' ' THR . 5.4 mt -116.84 -76.06 0.57 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.456 ' CD1' ' HB3' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -113.11 134.59 54.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.611 ' CE1' ' HG3' ' A' ' 15' ' ' LYS . 16.8 m170 -80.08 155.98 27.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.617 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.484 HD13 ' CD2' ' A' ' 43' ' ' LEU . 1.6 mm -127.44 129.66 70.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.453 ' HA ' ' C ' ' A' ' 23' ' ' PRO . 2.4 t -140.03 129.18 13.49 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.01 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.453 ' C ' ' HA ' ' A' ' 22' ' ' SER . 18.3 Cg_endo -74.99 -178.24 22.89 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.022 0.046 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.65 -88.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.501 ' O ' ' CG ' ' A' ' 132' ' ' ARG . 16.2 mt-10 -135.5 63.36 1.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' A' ' 23' ' ' PRO . 1.9 pt-20 -163.08 103.17 0.99 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.324 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.412 ' N ' ' O ' ' A' ' 132' ' ' ARG . 10.1 mt -101.17 125.33 47.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' A' ' 28' ' ' TYR . 20.5 m-85 -104.33 91.32 3.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.488 ' CD2' HG23 ' A' ' 90' ' ' VAL . 38.8 m-85 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.2 mttt . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.41 ' HE2' ' CG1' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -111.72 145.89 38.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.432 ' CG2' ' HB ' ' A' ' 82' ' ' VAL . 13.2 t -109.98 138.73 45.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.406 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.477 ' CD2' HD11 ' A' ' 81' ' ' ILE . 0.7 OUTLIER -114.62 118.37 33.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.297 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.44 ' N ' HD13 ' A' ' 40' ' ' LEU . 48.8 mt -91.84 147.07 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.426 ' N ' HG21 ' A' ' 41' ' ' ILE . 2.2 t -121.13 133.69 66.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.484 ' CD2' HD13 ' A' ' 21' ' ' ILE . 17.6 mt -120.03 110.57 16.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.75 106.5 17.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.402 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -75.38 111.7 10.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.3 m -85.22 -38.9 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.45 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 1.4 p -51.56 155.81 1.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.385 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.03 28.28 3.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 50' ' ' ILE . 14.5 m-80 -148.64 136.55 20.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 49' ' ' ASN . 22.2 mt -39.39 145.86 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.413 ' CG2' ' HA ' ' A' ' 102' ' ' GLU . 63.5 t -137.87 130.92 41.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.563 ' HB2' ' CE2' ' A' ' 117' ' ' PHE . . . -87.78 124.85 34.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.579 ' CE1' HD13 ' A' ' 80' ' ' ILE . 26.7 p90 -116.26 160.61 20.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.539 ' HD2' ' CD1' ' A' ' 118' ' ' TRP . 4.4 mttm -151.87 158.66 43.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.09 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.477 ' HB ' ' CG1' ' A' ' 65' ' ' VAL . 36.7 t -135.0 123.42 40.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.485 ' CD ' ' SD ' ' A' ' 99' ' ' MET . 0.0 OUTLIER -129.8 173.02 11.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.276 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.43 ' OG1' ' N ' ' A' ' 58' ' ' THR . 0.7 OUTLIER -164.94 171.95 13.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 110.413 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.43 ' N ' ' OG1' ' A' ' 57' ' ' THR . 21.7 p -81.52 5.06 19.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.372 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.523 ' HB1' ' CE2' ' A' ' 63' ' ' TYR . . . -149.19 76.84 9.27 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -15.67 20.57 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.548 1.815 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.431 ' O ' ' NE2' ' A' ' 85' ' ' HIS . 14.5 pt-20 -105.84 20.3 19.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 110.305 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.524 ' HA ' ' CD2' ' A' ' 85' ' ' HIS . 7.9 mtpt -125.09 -43.66 1.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.523 ' CE2' ' HB1' ' A' ' 59' ' ' ALA . 35.7 m-85 -109.56 137.75 46.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.9 106.93 18.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.477 ' CG1' ' HB ' ' A' ' 55' ' ' VAL . 50.5 t -101.48 122.02 53.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.489 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.0 OUTLIER -163.06 129.07 2.28 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.489 ' C ' ' HA ' ' A' ' 66' ' ' LYS . 18.3 Cg_endo -75.02 137.04 48.07 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 120.935 -2.527 . . . . 0.0 110.999 0.02 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 90.5 p -112.82 36.04 3.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.999 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 171.33 103.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 176.43 -160.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.054 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.67 162.64 34.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.968 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 42.2 t -123.8 115.55 21.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 108.261 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -51.13 160.59 0.85 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 134.77 18.18 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.539 1.81 . . . . 0.0 110.966 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.57 33.32 60.99 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.554 1.159 . . . . 0.0 110.993 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -136.21 -179.16 5.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.596 0.821 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.5 p -141.45 132.84 26.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.995 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.426 ' CG2' ' HB2' ' A' ' 43' ' ' LEU . 1.2 tt -105.1 169.67 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.448 ' OD2' ' CD1' ' A' ' 81' ' ' ILE . 1.8 p-10 -130.32 121.04 25.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.579 HD13 ' CE1' ' A' ' 53' ' ' PHE . 5.3 mm -115.87 104.26 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.477 HD11 ' CD2' ' A' ' 40' ' ' LEU . 2.2 mp -77.46 142.46 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.571 HG13 ' CZ ' ' A' ' 96' ' ' PHE . 54.2 t -139.93 104.6 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.339 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.6 t -124.2 132.16 24.27 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.985 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 85' ' ' HIS . 18.4 Cg_endo -74.98 107.39 2.47 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.475 1.776 . . . . 0.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.524 ' CD2' ' HA ' ' A' ' 62' ' ' LYS . 11.1 m-70 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.606 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.383 -0.229 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.488 HG23 ' CD2' ' A' ' 29' ' ' PHE . 2.2 m -118.84 0.53 7.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.0 m 44.72 -165.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.023 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -118.34 21.84 12.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -106.54 -26.27 11.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.485 ' OD2' ' CE2' ' A' ' 63' ' ' TYR . 24.5 t0 -70.98 152.96 43.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.67 151.83 44.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 110.292 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.571 ' CZ ' HG13 ' A' ' 82' ' ' VAL . 20.0 m-85 -117.21 153.84 32.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.999 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -135.38 136.85 41.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.433 ' CG2' HD12 ' A' ' 21' ' ' ILE . 4.2 mt -130.79 128.9 63.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.485 ' SD ' ' CD ' ' A' ' 56' ' ' ARG . 1.9 mtp -106.69 155.79 19.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -160.71 120.92 2.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.249 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -131.88 134.86 46.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.413 ' HA ' ' CG2' ' A' ' 51' ' ' VAL . 1.2 tt0 -68.47 116.11 8.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 110.327 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.579 ' HG3' ' CZ ' ' A' ' 117' ' ' PHE . 11.3 mtp -88.29 172.17 9.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -61.18 -139.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -102.3 -42.78 5.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.251 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.76 156.56 17.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.007 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 20.1 p -179.25 162.48 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.971 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -114.68 -7.13 18.46 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.491 1.12 . . . . 0.0 110.962 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.514 ' HA ' ' CD2' ' A' ' 114' ' ' LEU . 69.6 p 46.16 29.69 0.85 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 0.766 . . . . 0.0 110.398 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.6 ' O ' HD23 ' A' ' 114' ' ' LEU . . . -78.14 -169.79 35.08 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.491 1.119 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -26.82 10.59 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.454 1.765 . . . . 0.0 111.016 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.487 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -92.73 -59.54 2.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.487 ' C ' ' O ' ' A' ' 112' ' ' ALA . 2.3 mm-40 -32.42 -38.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.343 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.6 HD23 ' O ' ' A' ' 110' ' ' GLY . 3.1 mm? -75.53 -70.91 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.06 -30.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.979 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 114' ' ' LEU . 4.0 mm100 -78.71 -51.92 9.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 110.283 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.579 ' CZ ' ' HG3' ' A' ' 103' ' ' MET . 76.4 t80 -59.21 -31.03 68.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . 0.539 ' CD1' ' HD2' ' A' ' 54' ' ' LYS . 87.2 m95 -78.8 -12.42 60.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 108.005 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.15 -23.22 18.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -93.53 -42.73 9.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.31 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.511 ' CG1' ' O ' ' A' ' 117' ' ' PHE . 14.6 p -69.49 125.45 91.98 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.475 ' HG2' ' CG ' ' A' ' 125' ' ' LYS . 18.3 Cg_endo -74.99 151.09 39.13 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.477 1.777 . . . . 0.0 111.028 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.05 -18.76 5.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.267 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -77.29 -21.2 53.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.475 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 26.8 mmtt -103.07 -16.46 15.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.463 ' CG2' HG12 ' A' ' 121' ' ' VAL . 54.9 t -79.54 113.79 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' MET . . . . . 0.451 ' SD ' ' HD2' ' A' ' 17' ' ' PRO . 29.9 ttp -84.79 100.48 11.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -90.22 132.1 35.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 110.312 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . 0.685 ' CE1' ' CG ' ' A' ' 14' ' ' PHE . 72.6 t60 -131.33 111.86 12.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.596 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.66 141.88 29.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.431 HD12 ' CD1' ' A' ' 98' ' ' ILE . 0.3 OUTLIER -117.13 157.1 26.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.501 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 0.7 OUTLIER -128.22 156.39 43.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 14.6 t -88.83 150.13 23.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 108.282 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.613 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.1 m . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -125.43 143.17 39.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.753 ' CG ' ' CE1' ' A' ' 129' ' ' HIS . 20.3 t80 -73.43 96.01 2.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.961 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.617 ' HG3' ' CE1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -57.2 93.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 109.334 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.446 ' H ' ' CD2' ' A' ' 20' ' ' HIS . . . -84.74 155.49 30.57 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.436 1.085 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.41 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.2 Cg_endo -75.0 -18.96 18.3 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.472 1.775 . . . . 0.0 111.03 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.458 ' HA ' ' CG2' ' A' ' 47' ' ' THR . 2.7 mt -120.67 -76.43 0.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.489 ' CD1' ' HB3' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -110.52 133.0 53.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.617 ' CE1' ' HG3' ' A' ' 15' ' ' LYS . 17.8 m170 -79.69 156.31 27.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.573 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.481 HD12 ' CG2' ' A' ' 98' ' ' ILE . 3.0 mm -127.43 127.68 69.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.242 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.456 ' HA ' ' C ' ' A' ' 23' ' ' PRO . 0.5 OUTLIER -138.48 128.61 15.0 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.973 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.456 ' C ' ' HA ' ' A' ' 22' ' ' SER . 18.4 Cg_endo -75.04 178.66 33.74 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 120.964 -2.515 . . . . 0.0 110.982 -0.026 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.98 -85.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.467 ' HA ' ' CD2' ' A' ' 131' ' ' LEU . 12.4 mt-10 -141.92 63.48 1.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 23' ' ' PRO . 0.3 OUTLIER -162.58 103.47 1.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 132' ' ' ARG . 13.5 mt -101.48 127.1 48.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.435 ' CD1' ' N ' ' A' ' 28' ' ' TYR . 16.4 m-85 -105.72 93.44 4.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.09 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.437 ' CD2' HG12 ' A' ' 90' ' ' VAL . 54.3 m-85 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.6 mtmm . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.46 ' HD2' ' CG2' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -115.48 145.36 42.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.47 ' CG2' ' HB ' ' A' ' 82' ' ' VAL . 10.2 t -107.16 146.72 30.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.379 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.471 ' CD2' HD12 ' A' ' 81' ' ' ILE . 0.6 OUTLIER -118.21 117.43 29.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.454 ' N ' HD13 ' A' ' 40' ' ' LEU . 6.4 mt -90.98 149.96 3.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 t -124.33 136.03 61.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.489 ' HB3' ' CD1' ' A' ' 19' ' ' LEU . 8.4 mt -120.45 108.57 14.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.99 112.11 23.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.409 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 43.5 t-20 -79.76 108.93 13.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.404 HG13 ' NE2' ' A' ' 20' ' ' HIS . 13.6 m -86.17 -39.57 13.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.552 1.158 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.458 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 1.7 p -51.26 158.91 0.73 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.424 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -97.57 25.89 5.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 50' ' ' ILE . 6.8 m-80 -148.76 138.13 21.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.412 ' C ' ' O ' ' A' ' 49' ' ' ASN . 10.3 mt -39.37 149.25 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.4 t -137.75 128.03 36.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -90.54 126.37 35.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.592 ' CE2' HD13 ' A' ' 80' ' ' ILE . 47.9 p90 -121.45 162.06 21.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.986 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.537 ' HE3' ' CD1' ' A' ' 118' ' ' TRP . 12.9 mttm -150.5 149.93 30.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 79.0 t -113.89 115.31 49.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 109.253 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -122.7 136.87 55.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.328 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.9 t -134.04 169.51 17.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.402 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.1 p -88.5 22.42 2.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.429 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -174.86 73.33 0.3 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -17.84 19.35 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.509 1.794 . . . . 0.0 111.025 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -92.37 21.27 5.39 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.564 1.165 . . . . 0.0 110.29 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.2 mtpt -136.09 -46.43 0.64 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 109.288 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.42 ' OH ' ' CG ' ' A' ' 94' ' ' ASP . 30.7 m-85 -102.25 133.84 46.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.8 112.67 24.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 0.6 OUTLIER -116.53 116.12 51.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.455 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.0 OUTLIER -151.95 127.17 4.8 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.455 ' C ' ' HA ' ' A' ' 66' ' ' LYS . 18.3 Cg_endo -75.0 155.65 99.96 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 121.011 -2.495 . . . . 0.0 111.041 -0.002 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.447 ' CB ' ' CG2' ' A' ' 65' ' ' VAL . 26.1 p -113.37 -18.57 12.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.127 . . . . 0.0 109.981 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -143.58 99.65 3.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.55 ' HB2' ' CZ ' ' A' ' 53' ' ' PHE . 69.6 m -161.99 -177.66 5.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 110.031 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.71 158.26 33.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.964 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 42.6 t -123.31 118.09 26.75 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.492 1.12 . . . . 0.0 108.275 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -55.47 161.25 3.08 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 133.94 17.33 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.486 1.782 . . . . 0.0 111.023 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.1 32.2 56.59 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -140.39 177.83 7.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.8 p -138.83 137.29 36.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.165 . . . . 0.0 109.977 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.476 ' CG2' HD11 ' A' ' 43' ' ' LEU . 1.1 tt -105.06 168.89 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.425 1.078 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.438 ' OD2' ' CD1' ' A' ' 81' ' ' ILE . 1.4 p-10 -127.25 123.19 35.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.592 HD13 ' CE2' ' A' ' 53' ' ' PHE . 6.3 mm -118.44 105.85 18.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.358 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.471 HD12 ' CD2' ' A' ' 40' ' ' LEU . 2.2 mp -79.06 141.77 14.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.251 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.576 HG13 ' CE1' ' A' ' 96' ' ' PHE . 93.0 t -136.82 98.86 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.339 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -111.53 120.19 43.22 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.006 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 162.88 36.49 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.509 1.794 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.552 -179.988 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.507 ' OG1' ' N ' ' A' ' 90' ' ' VAL . 2.1 t . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.507 ' N ' ' OG1' ' A' ' 89' ' ' THR . 2.5 p -75.52 123.09 30.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.256 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.408 ' N ' ' OD2' ' A' ' 94' ' ' ASP . 52.4 m -66.0 -86.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 110.038 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 178.4 -39.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.251 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -82.18 -8.57 59.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.436 ' OD2' ' CG2' ' A' ' 90' ' ' VAL . 1.6 m-20 -54.51 141.09 32.4 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 5.0 tpp180 -130.67 137.84 49.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.576 ' CE1' HG13 ' A' ' 82' ' ' VAL . 18.5 m-85 -114.85 105.05 12.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 56' ' ' ARG . 51.1 tp -83.98 148.2 27.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.481 ' CG2' HD12 ' A' ' 21' ' ' ILE . 2.8 mt -137.63 115.83 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 15.2 mtp -88.19 152.51 21.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -161.29 117.69 2.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -133.09 135.35 45.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 109.285 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.18 124.37 23.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.565 ' HG2' ' CE2' ' A' ' 117' ' ' PHE . 0.0 OUTLIER -90.07 172.14 9.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.09 . . . . 0.0 111.018 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -72.08 -143.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.26 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -70.72 -162.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.1 m -53.14 104.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.984 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.2 m -127.18 154.72 44.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.01 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -76.94 140.08 24.39 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 76.9 p -94.65 31.84 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.434 0.726 . . . . 0.0 110.39 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -74.84 -178.07 40.34 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.457 1.098 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -14.28 21.17 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.453 1.765 . . . . 0.0 111.015 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -90.43 -72.98 0.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 112' ' ' ALA . 2.5 mm-40 -36.73 -46.38 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.282 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.406 ' C ' ' N ' ' A' ' 116' ' ' GLN . 70.6 mt -60.59 -64.04 1.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -43.79 -26.42 0.25 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 109.963 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.406 ' N ' ' C ' ' A' ' 114' ' ' LEU . 1.1 tt0 -81.39 -54.24 5.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.565 ' CE2' ' HG2' ' A' ' 103' ' ' MET . 19.0 t80 -56.88 -32.74 66.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 111.011 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . 0.537 ' CD1' ' HE3' ' A' ' 54' ' ' LYS . 85.4 m95 -76.98 -12.16 59.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 108.002 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.45 -26.7 15.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.409 ' CG ' ' N ' ' A' ' 121' ' ' VAL . 0.4 OUTLIER -91.52 -42.64 10.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.302 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.499 ' CG1' ' O ' ' A' ' 117' ' ' PHE . 9.1 p -69.36 121.56 82.53 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 109.342 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.499 ' HG2' ' CG ' ' A' ' 125' ' ' LYS . 18.3 Cg_endo -75.0 155.73 42.93 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.522 1.801 . . . . 0.0 111.023 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.89 -28.92 66.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 110.321 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -66.09 -30.02 70.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.265 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.499 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 36.6 mmtt -90.39 -19.81 23.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 50.2 t -75.01 123.38 30.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' MET . . . . . 0.41 ' SD ' ' HD2' ' A' ' 17' ' ' PRO . 37.7 ttp -93.59 118.15 31.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -104.89 126.89 52.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.276 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . 0.753 ' CE1' ' CG ' ' A' ' 14' ' ' PHE . 41.4 t60 -126.13 112.19 15.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.61 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 -87.53 127.83 35.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.254 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.467 ' CD2' ' HA ' ' A' ' 25' ' ' GLU . 0.4 OUTLIER -104.45 149.96 24.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.443 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -125.43 153.51 43.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 110.288 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 19.8 p -84.44 161.41 20.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 108.326 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.593 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.2 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.449 HG21 ' CE ' ' A' ' 15' ' ' LYS . 0.8 OUTLIER -124.8 146.86 29.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.25 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.704 ' CG ' ' CE1' ' A' ' 129' ' ' HIS . 23.6 t80 -74.2 96.64 2.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.961 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.598 ' HG3' ' CE1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -58.67 95.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.461 ' H ' ' CD2' ' A' ' 20' ' ' HIS . . . -88.91 152.56 23.04 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.44 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.3 Cg_endo -75.02 -18.31 18.79 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.496 1.788 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.483 ' HA ' ' CG2' ' A' ' 47' ' ' THR . 10.8 mt -116.64 -76.34 0.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.445 ' CD1' ' HB3' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -114.61 134.64 54.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.598 ' CE1' ' HG3' ' A' ' 15' ' ' LYS . 13.1 m170 -79.82 156.28 27.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.6 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.454 HD12 ' CD2' ' A' ' 43' ' ' LEU . 1.4 mm -128.09 123.7 61.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.408 ' HA ' ' C ' ' A' ' 23' ' ' PRO . 0.1 OUTLIER -133.14 126.98 19.81 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.005 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.408 ' C ' ' HA ' ' A' ' 22' ' ' SER . 18.2 Cg_endo -75.03 -179.85 28.15 Favored 'Cis proline' 0 C--N 1.359 1.118 0 C-N-CA 121.005 -2.498 . . . . 0.0 110.979 0.008 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.55 -85.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.416 ' HA ' ' CD2' ' A' ' 131' ' ' LEU . 0.0 OUTLIER -143.35 59.54 1.4 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -162.17 105.03 1.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.326 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.411 ' CD1' ' CD2' ' A' ' 96' ' ' PHE . 36.6 mt -99.66 142.74 30.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.548 ' CD1' ' HB3' ' A' ' 134' ' ' HIS . 1.5 m-85 -130.32 91.78 3.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.514 ' CE1' HG23 ' A' ' 39' ' ' THR . 22.2 m-85 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 110.978 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.29 -0.634 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.426 ' CB ' ' HB2' ' A' ' 83' ' ' SER . 0.0 OUTLIER -123.64 141.51 51.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.514 HG23 ' CE1' ' A' ' 29' ' ' PHE . 14.5 t -103.81 132.81 49.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.374 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.473 HD13 ' N ' ' A' ' 41' ' ' ILE . 2.8 tp -112.89 120.96 43.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.338 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.473 ' N ' HD13 ' A' ' 40' ' ' LEU . 16.0 mt -89.84 148.59 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.438 ' N ' HG22 ' A' ' 41' ' ' ILE . 20.7 t -116.09 133.74 61.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.473 ' HB2' ' CG2' ' A' ' 78' ' ' ILE . 29.9 mt -122.89 107.5 11.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.81 105.1 16.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.426 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -69.95 110.7 5.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.498 HG11 ' CE1' ' A' ' 20' ' ' HIS . 13.1 m -99.93 36.72 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.483 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 1.6 p -119.49 165.9 13.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.408 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.34 20.38 11.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -154.15 156.13 36.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.357 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.432 ' CD1' ' OG ' ' A' ' 107' ' ' SER . 45.2 mt -56.09 148.58 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.448 ' CG2' ' HA ' ' A' ' 102' ' ' GLU . 54.9 t -136.27 121.82 28.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.408 ' HB2' ' CD2' ' A' ' 114' ' ' LEU . . . -78.85 122.0 25.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.587 ' CE1' HD12 ' A' ' 80' ' ' ILE . 31.8 p90 -113.46 150.56 32.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.583 ' HG3' ' CZ2' ' A' ' 118' ' ' TRP . 7.3 mttt -144.2 126.88 16.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.478 ' CG1' HG13 ' A' ' 65' ' ' VAL . 48.8 t -105.63 120.16 55.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.493 ' CD ' ' SD ' ' A' ' 99' ' ' MET . 0.0 OUTLIER -124.52 172.58 9.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.329 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.0 t -159.83 171.27 19.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.42 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.9 p -87.38 20.56 2.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.392 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -168.91 74.1 0.76 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -16.84 19.94 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.525 1.802 . . . . 0.0 110.966 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -95.9 28.25 3.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.311 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.2 mtpm? -141.83 -48.87 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.403 ' CE2' ' CG ' ' A' ' 94' ' ' ASP . 40.1 m-85 -101.85 125.93 48.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.957 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.49 105.05 17.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.478 HG13 ' CG1' ' A' ' 55' ' ' VAL . 9.6 t -100.85 128.47 52.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.502 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.3 OUTLIER -162.53 131.73 3.11 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 66' ' ' LYS . 18.2 Cg_endo -75.0 132.91 29.16 Favored 'Cis proline' 0 C--N 1.361 1.185 0 C-N-CA 120.941 -2.525 . . . . 0.0 111.006 -0.075 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.432 ' N ' ' HA ' ' A' ' 66' ' ' LYS . 82.0 p -113.02 41.11 2.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.03 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.8 t30 169.01 78.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.46 -165.44 1.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.01 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 86.2 p -137.52 151.64 48.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.02 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 50.9 t -111.59 121.66 45.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 108.312 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.78 162.19 17.79 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.258 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 145.58 31.74 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.519 1.799 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 65.69 30.43 77.29 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.439 1.087 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -141.43 -179.72 6.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 0.744 . . . . 0.0 109.331 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.3 p -143.15 136.47 28.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.016 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.473 ' CG2' ' HB2' ' A' ' 43' ' ' LEU . 1.3 tt -105.29 171.38 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -131.92 119.25 20.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.587 HD12 ' CE1' ' A' ' 53' ' ' PHE . 7.3 mm -110.83 97.04 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.421 HG23 ' N ' ' A' ' 82' ' ' VAL . 3.2 mp -71.35 140.58 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.469 HG12 ' CZ ' ' A' ' 96' ' ' PHE . 53.4 t -133.87 121.18 38.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.426 ' HB2' ' CB ' ' A' ' 38' ' ' LYS . 10.3 t -146.23 139.37 14.43 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.049 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 171.58 18.04 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.437 1.756 . . . . 0.0 110.979 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.611 179.99 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.511 HG13 ' CD2' ' A' ' 29' ' ' PHE . 2.6 p -95.15 114.12 31.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.8 m -79.64 -175.56 4.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.964 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -91.95 -22.09 20.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.355 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -80.9 -32.95 34.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.316 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.403 ' CG ' ' CE2' ' A' ' 63' ' ' TYR . 4.2 t0 -48.15 108.05 0.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.01 149.75 23.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.271 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.469 ' CZ ' HG12 ' A' ' 82' ' ' VAL . 9.4 m-85 -113.5 151.01 32.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.456 1.097 . . . . 0.0 111.033 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.418 HD12 ' N ' ' A' ' 98' ' ' ILE . 3.3 tm? -131.96 138.87 48.48 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.418 ' N ' HD12 ' A' ' 97' ' ' LEU . 3.4 mt -134.73 126.96 48.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.504 ' HE1' ' CZ3' ' A' ' 118' ' ' TRP . 11.9 mtp -104.89 155.65 18.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.404 ' O ' ' HB3' ' A' ' 127' ' ' MET . . . -161.29 118.95 2.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 117' ' ' PHE . . . -132.09 131.93 42.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.448 ' HA ' ' CG2' ' A' ' 51' ' ' VAL . 1.2 tt0 -69.27 114.56 7.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.588 ' HG2' ' CE1' ' A' ' 117' ' ' PHE . 0.0 OUTLIER -86.66 172.31 10.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 111.007 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -71.14 -143.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -90.85 -76.12 0.45 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.343 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.72 104.13 1.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.16 . . . . 0.0 110.02 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.47 ' HB2' ' CE ' ' A' ' 103' ' ' MET . 28.9 p -118.19 125.29 49.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.024 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 109' ' ' THR . . . -86.47 -9.44 75.64 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.455 1.097 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 108' ' ' GLY . 30.4 p 36.44 58.45 1.03 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 0.787 . . . . 0.0 110.407 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -123.05 -161.88 11.33 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -47.68 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.456 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -74.85 -63.63 1.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 112' ' ' ALA . 0.3 OUTLIER -34.78 -54.26 0.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 110.287 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 117' ' ' PHE . 77.7 mt -59.66 -62.05 2.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.508 ' O ' ' CG ' ' A' ' 119' ' ' LYS . 0.6 OUTLIER -46.77 -35.36 6.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.967 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.521 ' HA ' ' CG ' ' A' ' 119' ' ' LYS . 2.3 mt-30 -72.21 -32.9 67.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.588 ' CE1' ' HG2' ' A' ' 103' ' ' MET . 18.1 t80 -85.21 -25.88 27.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . 0.583 ' CZ2' ' HG3' ' A' ' 54' ' ' LYS . 59.9 m95 -84.81 -23.0 29.3 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.521 ' CG ' ' HA ' ' A' ' 116' ' ' GLN . 0.0 OUTLIER -88.52 -26.5 21.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.408 ' CG ' ' HD2' ' A' ' 119' ' ' LYS . 2.1 mt-10 -88.52 -37.39 15.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.519 ' CG1' ' O ' ' A' ' 117' ' ' PHE . 9.1 p -69.28 124.8 91.21 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.476 ' HG2' ' CG ' ' A' ' 125' ' ' LYS . 18.3 Cg_endo -75.01 153.31 41.65 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.453 1.765 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -16.97 10.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 110.284 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -79.16 -21.09 46.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.476 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 20.4 mmtt -103.94 -12.4 16.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 25.4 t -79.11 104.95 7.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' MET . . . . . 0.44 ' SD ' ' HD2' ' A' ' 17' ' ' PRO . 27.5 ttp -80.21 102.0 9.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -100.82 127.42 47.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . 0.704 ' CE1' ' CG ' ' A' ' 14' ' ' PHE . 75.9 t60 -128.23 111.64 13.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.649 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.05 141.1 33.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.416 ' CD2' ' HA ' ' A' ' 25' ' ' GLU . 0.3 OUTLIER -116.17 147.11 41.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -96.84 162.87 13.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.36 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 96.7 m -119.0 114.71 22.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 108.259 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . 0.548 ' HB3' ' CD1' ' A' ' 28' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.617 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.4 m . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.46 HG23 ' CE ' ' A' ' 15' ' ' LYS . 0.6 OUTLIER -130.25 143.88 39.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.268 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -73.82 96.47 2.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 0.0 111.02 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.609 ' HG3' ' CE1' ' A' ' 20' ' ' HIS . 0.1 OUTLIER -57.54 100.21 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.458 ' H ' ' CD2' ' A' ' 20' ' ' HIS . . . -89.75 154.57 24.05 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.411 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.3 Cg_endo -75.0 -20.91 16.39 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.489 1.784 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.455 ' HA ' ' CG2' ' A' ' 47' ' ' THR . 8.4 mt -117.87 -75.63 0.58 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.476 ' CD1' ' HB3' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -111.21 134.7 52.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.609 ' CE1' ' HG3' ' A' ' 15' ' ' LYS . 10.9 m170 -79.75 157.39 27.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.587 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.466 HD13 ' CD2' ' A' ' 43' ' ' LEU . 1.4 mm -126.94 124.82 65.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.155 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.404 ' HA ' ' C ' ' A' ' 23' ' ' PRO . 0.1 OUTLIER -133.05 125.25 18.95 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.988 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.404 ' C ' ' HA ' ' A' ' 22' ' ' SER . 18.2 Cg_endo -74.98 -165.29 4.06 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 121.019 -2.492 . . . . 0.0 110.989 -0.002 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.17 -89.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.5 ' O ' ' CG ' ' A' ' 132' ' ' ARG . 0.1 OUTLIER -136.62 63.72 1.57 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 110.337 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -162.72 104.71 1.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.299 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.49 ' HG ' ' CG2' ' A' ' 39' ' ' THR . 1.5 tp -98.41 120.48 38.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -111.97 104.94 13.24 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 111.031 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.451 ' CD ' HG23 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -118.97 149.27 41.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.49 ' CG2' ' HG ' ' A' ' 27' ' ' LEU . 7.4 t -115.83 160.47 20.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.41 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.501 ' CD1' ' C ' ' A' ' 80' ' ' ILE . 0.4 OUTLIER -128.49 120.72 27.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.486 ' N ' HD12 ' A' ' 40' ' ' LEU . 51.1 mt -90.17 141.84 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.0 t -116.59 135.84 55.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.477 ' HB2' ' CG2' ' A' ' 78' ' ' ILE . 14.8 mt -124.37 107.58 11.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.3 m -97.11 106.53 18.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.387 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -73.89 97.74 2.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.3 m -70.45 -38.43 73.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.455 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 5.8 p -49.23 163.11 0.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 110.409 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.03 20.88 15.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 50' ' ' ILE . 9.9 m-80 -144.92 137.67 26.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.475 HG21 ' N ' ' A' ' 51' ' ' VAL . 95.4 mt -39.51 145.75 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.475 ' N ' HG21 ' A' ' 50' ' ' ILE . 48.4 t -137.88 123.63 25.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.59 126.82 33.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.581 ' CE1' HD11 ' A' ' 80' ' ' ILE . 52.1 p90 -118.0 165.72 13.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 110.988 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.574 ' HG3' ' CZ2' ' A' ' 118' ' ' TRP . 31.3 mttt -154.05 130.48 10.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 89.8 t -109.15 116.04 51.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.507 ' CD ' ' SD ' ' A' ' 99' ' ' MET . 0.0 OUTLIER -127.92 173.12 10.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.27 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.7 t -161.29 173.89 14.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.369 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.3 p -86.72 19.3 2.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.368 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -164.9 75.08 1.47 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -25.8 11.7 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.567 1.825 . . . . 0.0 111.056 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -91.54 32.99 1.03 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 110.335 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 85' ' ' HIS . 14.5 mtpt -142.83 -48.98 0.34 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.406 ' CE2' ' OD2' ' A' ' 94' ' ' ASP . 61.3 m-85 -104.19 123.65 47.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.7 mtm-85 -81.35 105.61 12.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.423 ' O ' ' HB3' ' A' ' 68' ' ' SER . 3.7 t -107.14 127.26 63.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.502 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.0 OUTLIER -163.99 131.22 2.48 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 66' ' ' LYS . 18.3 Cg_endo -74.99 141.27 71.28 Favored 'Cis proline' 0 C--N 1.359 1.111 0 C-N-CA 120.975 -2.51 . . . . 0.0 111.001 -0.057 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.423 ' HB3' ' O ' ' A' ' 65' ' ' VAL . 24.2 p -113.22 31.49 6.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.029 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 171.86 92.41 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.11 . . . . 0.0 109.269 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.03 -165.94 0.96 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.019 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.7 p -137.62 147.6 45.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 51.2 t -115.02 120.17 38.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 108.297 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -58.03 164.46 3.38 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.244 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 140.38 25.45 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.568 1.825 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.65 28.2 72.47 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.45 1.094 . . . . 0.0 111.002 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -133.61 -178.39 4.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.9 p -142.16 139.52 32.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.974 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.477 ' CG2' ' HB2' ' A' ' 43' ' ' LEU . 0.5 OUTLIER -105.86 169.26 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -130.63 115.0 16.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.581 HD11 ' CE1' ' A' ' 53' ' ' PHE . 2.5 mm -114.65 110.34 31.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.475 HD11 ' CD2' ' A' ' 40' ' ' LEU . 2.4 mp -82.66 145.79 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.57 HG12 ' CZ ' ' A' ' 96' ' ' PHE . 54.5 t -138.57 97.5 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.7 t -117.42 128.28 26.11 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.582 1.176 . . . . 0.0 110.034 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 85' ' ' HIS . 18.4 Cg_endo -75.0 157.1 42.96 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.518 1.799 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.438 ' N ' ' O ' ' A' ' 62' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.594 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 71.6 p . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.426 -0.212 . . . . 0.0 110.426 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.4 t -103.13 -12.73 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.3 t 56.26 172.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.975 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -121.93 12.98 10.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -111.36 -30.81 7.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.293 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.406 ' OD2' ' CE2' ' A' ' 63' ' ' TYR . 14.1 t70 -51.41 161.83 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -149.22 149.63 31.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.57 ' CZ ' HG12 ' A' ' 82' ' ' VAL . 23.1 m-85 -109.56 154.37 22.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.157 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.459 HD11 ' N ' ' A' ' 98' ' ' ILE . 1.4 tm? -134.62 142.6 46.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.46 ' CG2' HD12 ' A' ' 21' ' ' ILE . 3.8 mt -136.87 125.9 36.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.268 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.608 ' HE1' ' CZ3' ' A' ' 118' ' ' TRP . 6.6 mtp -106.87 154.84 20.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -162.01 118.57 2.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.411 ' HB3' ' HB ' ' A' ' 126' ' ' VAL . . . -129.83 131.1 46.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.434 ' HA ' ' CG2' ' A' ' 51' ' ' VAL . 0.9 OUTLIER -70.15 127.47 32.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.263 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.573 ' HG2' ' CE1' ' A' ' 117' ' ' PHE . 12.6 mtp -88.12 171.41 10.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -72.5 -143.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -80.77 -70.59 0.52 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.343 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.07 121.14 26.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 110.038 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 6.3 m -120.45 114.06 21.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.002 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 109' ' ' THR . . . -70.18 -18.19 74.65 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 108' ' ' GLY . 36.6 p 36.07 71.29 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 0.741 . . . . 0.0 110.391 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.509 ' O ' ' CD1' ' A' ' 114' ' ' LEU . . . -141.78 -171.18 12.78 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.503 1.127 . . . . 0.0 110.96 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -23.82 13.42 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.552 1.817 . . . . 0.0 111.018 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -92.14 -67.31 0.86 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -39.9 -45.82 1.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.269 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.509 ' CD1' ' O ' ' A' ' 110' ' ' GLY . 82.1 mt -62.77 -64.11 1.02 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.6 t -46.7 -33.0 3.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.984 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.52 ' HA ' ' CG ' ' A' ' 119' ' ' LYS . 1.3 mt-30 -80.54 -31.33 37.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 110.322 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.573 ' CE1' ' HG2' ' A' ' 103' ' ' MET . 87.1 t80 -84.66 -20.19 31.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . 0.608 ' CZ3' ' HE1' ' A' ' 99' ' ' MET . 55.2 m95 -90.36 -25.82 20.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 107.999 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.52 ' CG ' ' HA ' ' A' ' 116' ' ' GLN . 0.0 OUTLIER -84.43 -22.39 30.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -93.39 -42.56 9.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.558 ' CG1' ' O ' ' A' ' 117' ' ' PHE . 9.8 p -69.82 119.39 71.02 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.515 ' HG2' ' CG ' ' A' ' 125' ' ' LYS . 18.2 Cg_endo -75.04 167.92 25.95 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.444 1.76 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.469 ' HA ' ' CG1' ' A' ' 126' ' ' VAL . 0.0 OUTLIER -76.16 1.34 16.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -101.07 -13.84 18.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.515 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 29.3 mmtt -104.15 -26.96 12.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.59 HG21 ' CZ3' ' A' ' 118' ' ' TRP . 11.7 p -94.39 140.85 15.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' MET . . . . . 0.451 ' HG2' ' N ' ' A' ' 128' ' ' GLU . 66.6 ttp -80.31 157.36 26.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.451 ' N ' ' HG2' ' A' ' 127' ' ' MET . 62.5 mt-10 -143.89 110.4 5.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -121.77 116.15 23.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.61 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -88.35 138.24 31.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.309 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.09 145.93 36.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.5 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 3.4 ptt180 -113.57 142.95 45.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 110.315 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 25.4 p -88.34 135.01 33.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 108.297 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.607 -179.987 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.4 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -129.12 141.15 47.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -73.58 96.39 2.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.586 ' HD3' ' CE1' ' A' ' 20' ' ' HIS . 9.2 mmtp -58.92 104.92 0.27 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.359 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.48 ' H ' ' CD2' ' A' ' 20' ' ' HIS . . . -95.35 155.71 21.44 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.441 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.3 Cg_endo -75.03 -17.97 19.04 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.542 1.812 . . . . 0.0 110.97 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.462 ' HA ' ' CG2' ' A' ' 47' ' ' THR . 3.8 mt -119.88 -75.13 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.49 HD23 ' CB ' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -110.02 127.56 54.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.586 ' CE1' ' HD3' ' A' ' 15' ' ' LYS . 9.9 m170 -79.48 124.64 28.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.606 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.527 HG23 ' CD2' ' A' ' 129' ' ' HIS . 1.4 mm -95.03 141.24 15.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.168 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.456 ' HA ' ' C ' ' A' ' 23' ' ' PRO . 1.2 t -149.07 130.26 7.17 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.085 . . . . 0.0 109.998 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.456 ' C ' ' HA ' ' A' ' 22' ' ' SER . 18.5 Cg_endo -74.99 -162.53 2.81 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 121.016 -2.493 . . . . 0.0 110.998 0.015 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.471 ' O ' ' NE2' ' A' ' 129' ' ' HIS . . . -73.86 -93.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.419 ' HB2' ' CG ' ' A' ' 132' ' ' ARG . 0.7 OUTLIER -129.45 55.05 1.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.576 ' HB2' ' CD2' ' A' ' 134' ' ' HIS . 4.2 pt-20 -163.27 103.42 0.97 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.503 ' HG ' ' CD1' ' A' ' 131' ' ' LEU . 27.4 mt -97.78 135.25 39.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.457 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 11.0 m-85 -109.46 109.25 20.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.514 ' CG ' HG12 ' A' ' 90' ' ' VAL . 82.5 m-85 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.3 mttt . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.434 ' HG2' ' N ' ' A' ' 39' ' ' THR . 0.0 OUTLIER -119.12 145.84 45.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.26 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.488 ' CG2' ' HB ' ' A' ' 82' ' ' VAL . 8.9 t -109.15 158.9 17.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 110.369 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.506 ' CD1' ' C ' ' A' ' 80' ' ' ILE . 0.8 OUTLIER -132.29 116.66 17.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 109.305 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.453 ' N ' HD11 ' A' ' 40' ' ' LEU . 77.0 mt -90.24 139.49 17.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.2 t -114.54 133.03 61.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.359 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.485 ' HA ' ' O ' ' A' ' 20' ' ' HIS . 45.6 mt -116.8 101.91 8.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.415 ' C ' HD13 ' A' ' 19' ' ' LEU . 1.0 OUTLIER -93.83 104.35 16.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.385 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.49 ' CB ' HD23 ' A' ' 19' ' ' LEU . 25.8 t30 -75.9 106.23 7.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.438 HG21 ' N ' ' A' ' 47' ' ' THR . 26.5 m -82.29 -41.54 18.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.462 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 2.0 p -46.03 155.46 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.431 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.3 tptt -94.55 28.41 2.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.246 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 50' ' ' ILE . 14.6 m-80 -151.5 134.84 16.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.431 ' CG1' ' HD3' ' A' ' 74' ' ' PRO . 59.1 mt -38.79 148.1 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.442 ' CG2' ' HA ' ' A' ' 102' ' ' GLU . 54.4 t -139.0 128.35 30.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.374 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.68 133.54 34.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.561 ' CE1' HD13 ' A' ' 80' ' ' ILE . 28.0 p90 -127.06 145.56 50.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 111.056 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.52 ' HD2' ' CE2' ' A' ' 118' ' ' TRP . 17.8 mttt -140.41 128.58 22.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.44 HG11 ' CG1' ' A' ' 65' ' ' VAL . 25.5 t -106.38 128.67 60.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.466 ' NE ' ' SD ' ' A' ' 99' ' ' MET . 0.0 OUTLIER -137.9 146.41 43.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 110.312 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.3 t -127.04 165.33 19.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.429 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 29.0 p -75.91 -0.36 21.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.344 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.428 ' CB ' ' HD3' ' A' ' 62' ' ' LYS . . . -153.32 75.28 6.57 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 0.23 9.15 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.517 1.798 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -106.22 10.61 31.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.266 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.428 ' HD3' ' CB ' ' A' ' 59' ' ' ALA . 10.5 mtpt -123.47 -47.4 1.98 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -101.55 145.33 29.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.978 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -101.6 101.2 11.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.44 ' CG1' HG11 ' A' ' 55' ' ' VAL . 8.3 t -98.05 125.14 51.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.259 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.496 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.4 OUTLIER -162.45 131.2 2.98 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.346 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 66' ' ' LYS . 18.5 Cg_endo -74.97 134.83 37.69 Favored 'Cis proline' 0 C--N 1.359 1.124 0 C-N-CA 121.021 -2.491 . . . . 0.0 110.997 0.05 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.48 ' O ' ' CB ' ' A' ' 69' ' ' ASN . 87.0 p -112.78 50.18 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.018 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.48 ' CB ' ' O ' ' A' ' 68' ' ' SER . 2.1 m-20 156.61 95.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -176.72 -162.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.988 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 94.3 p -136.86 158.28 44.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.987 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 46.0 t -120.0 119.45 33.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 108.328 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -55.1 162.11 2.17 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.431 ' HD3' ' CG1' ' A' ' 50' ' ' ILE . 18.5 Cg_endo -75.01 139.49 24.32 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.466 1.772 . . . . 0.0 111.041 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.47 30.96 73.32 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -135.8 -178.63 5.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 0.745 . . . . 0.0 109.295 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.9 p -144.11 135.72 25.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.966 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.469 ' CG2' ' HB2' ' A' ' 43' ' ' LEU . 1.0 OUTLIER -104.74 171.46 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -131.59 117.19 18.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.36 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.561 HD13 ' CE1' ' A' ' 53' ' ' PHE . 3.4 mm -113.89 106.03 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.246 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.474 HD11 ' CD1' ' A' ' 40' ' ' LEU . 2.1 mp -78.65 146.63 7.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.58 HG12 ' CZ ' ' A' ' 96' ' ' PHE . 55.7 t -141.15 97.72 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.168 . . . . 0.0 109.266 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -111.4 125.74 29.91 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.162 . . . . 0.0 109.969 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 85' ' ' HIS . 18.4 Cg_endo -74.98 107.21 2.43 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.516 1.798 . . . . 0.0 111.04 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.418 ' N ' ' O ' ' A' ' 62' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.63 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.446 ' OG1' ' N ' ' A' ' 90' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.41 -0.219 . . . . 0.0 110.41 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.514 HG12 ' CG ' ' A' ' 29' ' ' PHE . 10.8 p -102.84 138.34 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.7 m -124.15 177.6 5.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 109.976 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -92.7 36.9 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -109.03 -30.37 8.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.27 170.85 8.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.53 157.95 43.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.349 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.58 ' CZ ' HG12 ' A' ' 82' ' ' VAL . 62.7 m-85 -114.26 152.41 31.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 111.023 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 56' ' ' ARG . 3.4 tm? -133.24 136.93 45.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.52 ' CG2' ' CD1' ' A' ' 21' ' ' ILE . 3.2 mt -128.18 138.13 55.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.468 ' N ' ' O ' ' A' ' 54' ' ' LYS . 13.0 mtp -112.58 153.74 27.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -161.52 119.57 2.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.266 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -134.98 131.23 36.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.442 ' HA ' ' CG2' ' A' ' 51' ' ' VAL . 1.6 tt0 -69.87 130.87 43.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.313 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.631 ' CG ' ' CE2' ' A' ' 117' ' ' PHE . 35.3 mtp -98.28 170.94 8.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 111.033 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -77.37 -143.13 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -55.09 -168.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.319 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.6 m -53.09 111.81 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.995 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 83.7 p -87.63 -178.21 6.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.107 . . . . 0.0 109.999 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -107.09 -13.88 20.25 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.473 1.108 . . . . 0.0 110.966 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 80.2 p 45.2 70.06 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.773 . . . . 0.0 110.402 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.418 ' O ' ' CG ' ' A' ' 114' ' ' LEU . . . -135.23 -168.83 11.72 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.544 1.152 . . . . 0.0 111.031 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -20.73 16.54 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.492 1.785 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -92.45 -70.95 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 112' ' ' ALA . 2.9 mm-40 -37.7 -45.63 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 110.295 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 117' ' ' PHE . 79.1 mt -61.12 -65.95 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.337 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.492 ' O ' ' CG ' ' A' ' 119' ' ' LYS . 0.2 OUTLIER -49.47 -28.29 5.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.957 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.523 ' HA ' ' CG ' ' A' ' 119' ' ' LYS . 2.2 mt-30 -82.51 -30.21 29.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.311 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.631 ' CE2' ' CG ' ' A' ' 103' ' ' MET . 29.7 t80 -86.65 -24.17 25.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 111.071 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . 0.52 ' CE2' ' HD2' ' A' ' 54' ' ' LYS . 54.5 m95 -87.65 -20.99 25.55 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.516 1.135 . . . . 0.0 108.022 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.523 ' CG ' ' HA ' ' A' ' 116' ' ' GLN . 0.0 OUTLIER -89.85 -26.52 20.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.463 ' CG ' ' HD2' ' A' ' 119' ' ' LYS . 2.6 mt-10 -88.71 -38.99 14.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.336 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.513 ' CG1' ' O ' ' A' ' 117' ' ' PHE . 7.2 p -68.29 124.75 90.51 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.484 ' HG2' ' CG ' ' A' ' 125' ' ' LYS . 18.4 Cg_endo -74.93 144.24 30.29 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.485 1.782 . . . . 0.0 111.028 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.518 ' CD ' ' N ' ' A' ' 124' ' ' ASN . 0.0 OUTLIER -49.3 -19.89 0.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 110.278 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . 0.518 ' N ' ' CD ' ' A' ' 123' ' ' ARG . 2.5 t30 -73.88 -33.13 63.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.35 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.484 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 24.7 mmtt -93.73 0.19 56.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.25 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 74.8 t -94.1 107.94 19.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' MET . . . . . 0.441 ' SD ' ' HD2' ' A' ' 17' ' ' PRO . 39.9 ttp -83.65 113.03 20.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 111.016 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -106.81 127.69 53.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . 0.527 ' CD2' HG23 ' A' ' 21' ' ' ILE . 71.8 t60 -120.62 128.3 52.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.592 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -100.37 118.68 37.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.148 . . . . 0.0 110.306 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.503 ' CD1' ' HG ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -92.52 142.7 27.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 27' ' ' LEU . 2.5 mmt85 -105.95 160.06 15.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.27 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 11.4 t -98.69 135.05 40.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 108.29 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . 0.576 ' CD2' ' HB2' ' A' ' 26' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.571 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.3 m . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.477 HG21 ' CE ' ' A' ' 15' ' ' LYS . 0.6 OUTLIER -127.25 143.47 40.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -74.16 96.44 2.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.579 ' HG3' ' CE1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -56.86 104.89 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 109.304 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.449 ' H ' ' CD2' ' A' ' 20' ' ' HIS . . . -94.02 155.48 21.96 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.512 1.133 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -19.31 17.91 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.463 1.77 . . . . 0.0 111.011 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.423 ' HA ' ' CG2' ' A' ' 47' ' ' THR . 5.4 mt -120.97 -76.05 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.467 ' CD1' ' HB3' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -109.83 135.09 51.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.579 ' CE1' ' HG3' ' A' ' 15' ' ' LYS . 10.5 m170 -79.36 156.23 28.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.592 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.477 HD13 ' CD2' ' A' ' 43' ' ' LEU . 1.7 mm -128.32 130.44 69.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.484 ' HA ' ' C ' ' A' ' 23' ' ' PRO . 0.3 OUTLIER -145.28 132.45 10.15 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.054 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.484 ' C ' ' HA ' ' A' ' 22' ' ' SER . 18.4 Cg_endo -74.99 168.33 77.76 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 121.031 -2.487 . . . . 0.0 111.019 0.045 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.425 ' O ' ' O ' ' A' ' 23' ' ' PRO . . . -47.05 -96.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.508 ' O ' ' CG ' ' A' ' 132' ' ' ARG . 39.3 mt-10 -130.66 62.37 1.6 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.152 . . . . 0.0 110.325 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.422 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 0.4 OUTLIER -164.05 103.26 0.88 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.49 HD13 ' CG2' ' A' ' 39' ' ' THR . 0.1 OUTLIER -91.2 143.79 26.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -132.37 96.26 3.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 110.949 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.425 ' CE2' HG22 ' A' ' 39' ' ' THR . 84.4 m-85 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.9 mttt . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.505 ' HG2' ' N ' ' A' ' 39' ' ' THR . 0.2 OUTLIER -127.49 142.64 51.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.505 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 6.2 t -111.37 158.33 19.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.401 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.476 HD11 ' N ' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -128.7 118.55 23.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.476 ' N ' HD11 ' A' ' 40' ' ' LEU . 62.7 mt -90.8 151.92 3.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.428 ' N ' HG21 ' A' ' 41' ' ' ILE . 2.3 t -126.09 137.49 57.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.477 ' CD2' HD13 ' A' ' 21' ' ' ILE . 16.2 mt -124.28 110.17 14.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.407 ' C ' HD12 ' A' ' 19' ' ' LEU . 0.9 OUTLIER -98.09 110.64 23.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.403 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 72' ' ' CYS . 13.6 t-20 -78.88 106.77 11.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.8 m -82.81 -39.06 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.412 1.07 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.423 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 1.6 p -51.32 152.37 2.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.439 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -92.82 29.58 1.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 50' ' ' ILE . 21.5 m-80 -151.07 136.56 17.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 49' ' ' ASN . 25.8 mt -39.18 145.48 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.3 t -137.7 123.57 26.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -81.6 121.26 26.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.595 ' CE1' HD13 ' A' ' 80' ' ' ILE . 25.7 p90 -110.33 163.09 13.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.971 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.412 ' CG ' ' O ' ' A' ' 53' ' ' PHE . 15.1 mttm -157.86 154.13 27.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.6 t -134.22 124.73 46.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.549 ' HG3' ' HB3' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -130.89 166.29 21.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.439 ' OG1' ' N ' ' A' ' 58' ' ' THR . 1.9 t -151.64 176.01 11.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 110.411 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.439 ' N ' ' OG1' ' A' ' 57' ' ' THR . 7.7 p -88.49 21.78 2.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 110.419 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.496 ' HB2' ' CD ' ' A' ' 62' ' ' LYS . . . -165.01 74.39 1.45 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 7.31 2.91 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.446 1.761 . . . . 0.0 110.971 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -125.4 20.85 7.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.569 ' HA ' ' CD2' ' A' ' 85' ' ' HIS . 3.9 mttm -134.46 -47.54 0.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -106.9 118.58 37.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.92 119.88 25.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.137 . . . . 0.0 110.351 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.2 t -115.53 132.15 65.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.51 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.4 OUTLIER -161.93 134.32 4.28 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 66' ' ' LYS . 18.3 Cg_endo -75.02 133.15 30.1 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 121.0 -2.5 . . . . 0.0 110.982 0.028 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.435 ' N ' ' HA ' ' A' ' 66' ' ' LYS . 88.8 p -112.98 42.5 1.87 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 110.013 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.447 ' N ' ' OD1' ' A' ' 69' ' ' ASN . 9.0 p-10 167.2 84.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.107 . . . . 0.0 109.348 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.09 -169.35 0.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 110.007 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 93.8 p -132.2 158.55 41.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.968 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.46 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 51.8 t -119.34 125.09 48.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 108.297 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.55 162.7 10.71 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.437 1.086 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 139.08 23.77 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.502 1.79 . . . . 0.0 110.969 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.63 35.49 86.18 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -139.05 -178.56 5.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 0.731 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.2 p -142.59 134.66 27.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.983 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.407 HD12 ' CZ ' ' A' ' 53' ' ' PHE . 1.1 tt -105.05 169.23 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -128.12 119.82 26.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.595 HD13 ' CE1' ' A' ' 53' ' ' PHE . 2.7 mm -116.1 104.58 16.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.453 HD13 ' CD2' ' A' ' 40' ' ' LEU . 2.3 mp -77.96 146.51 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.471 ' HB ' ' CG2' ' A' ' 39' ' ' THR . 96.3 t -136.82 98.22 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.253 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -116.94 124.28 29.37 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 110.017 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.462 ' HG3' ' CG1' ' A' ' 90' ' ' VAL . 18.4 Cg_endo -75.0 175.83 10.72 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.431 1.753 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.569 ' CD2' ' HA ' ' A' ' 62' ' ' LYS . 1.1 m-70 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.625 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.461 ' OG1' ' N ' ' A' ' 90' ' ' VAL . 1.7 t . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.462 ' CG1' ' HG3' ' A' ' 84' ' ' PRO . 3.3 m -100.81 5.42 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.363 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.4 m 40.04 -156.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.949 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -128.41 18.17 6.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -112.12 -24.23 9.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.138 . . . . 0.0 110.274 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -59.45 139.17 57.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.244 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.69 142.43 51.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.458 ' O ' ' N ' ' A' ' 131' ' ' LEU . 39.2 m-85 -116.87 142.99 46.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.549 ' HB3' ' HG3' ' A' ' 56' ' ' ARG . 1.7 tm? -128.46 147.29 50.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.341 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.404 HG22 ' CD1' ' A' ' 21' ' ' ILE . 3.3 mt -135.43 131.31 51.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.594 ' HE2' ' CZ3' ' A' ' 118' ' ' TRP . 2.0 mtp -107.79 154.44 21.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -161.44 117.59 2.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.432 ' HB3' ' CB ' ' A' ' 126' ' ' VAL . . . -128.78 132.99 47.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -69.9 121.51 17.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.309 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.632 ' CG ' ' CZ ' ' A' ' 117' ' ' PHE . 9.6 mtp -85.33 171.47 11.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 111.025 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -81.07 -170.32 2.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -49.59 -84.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.353 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.15 122.01 25.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.979 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 13.3 m -124.76 104.17 8.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.985 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 109' ' ' THR . . . -52.06 -19.92 5.99 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 108' ' ' GLY . 51.6 p 38.04 51.35 1.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 0.758 . . . . 0.0 110.391 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.515 ' O ' ' CD1' ' A' ' 114' ' ' LEU . . . -120.6 -168.68 13.71 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.5 1.125 . . . . 0.0 110.971 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -28.1 9.43 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.555 1.818 . . . . 0.0 111.026 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -87.5 -67.7 0.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 117' ' ' PHE . 1.5 mm-40 -38.28 -47.3 1.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.515 ' CD1' ' O ' ' A' ' 110' ' ' GLY . 78.2 mt -60.04 -66.1 0.57 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.73 -33.69 3.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 110.032 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.524 ' HA ' ' CG ' ' A' ' 119' ' ' LYS . 2.0 mt-30 -80.14 -32.12 38.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.258 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.632 ' CZ ' ' CG ' ' A' ' 103' ' ' MET . 75.5 t80 -84.2 -18.6 36.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 111.067 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . 0.604 ' CZ3' HG22 ' A' ' 126' ' ' VAL . 55.1 m95 -92.37 -26.49 18.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 107.99 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.524 ' CG ' ' HA ' ' A' ' 116' ' ' GLN . 0.0 OUTLIER -83.62 -23.51 31.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -92.15 -41.65 10.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 110.296 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.547 ' CG1' ' O ' ' A' ' 117' ' ' PHE . 9.9 p -69.26 119.45 70.42 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.514 ' HG2' ' CG ' ' A' ' 125' ' ' LYS . 18.1 Cg_endo -75.02 170.02 21.34 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.472 1.775 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.441 ' HA ' ' CG1' ' A' ' 126' ' ' VAL . 0.0 OUTLIER -77.63 0.66 22.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -100.46 -13.89 18.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.514 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 30.1 mmtt -104.25 -26.93 12.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.604 HG22 ' CZ3' ' A' ' 118' ' ' TRP . 14.9 p -95.65 140.17 17.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' MET . . . . . 0.442 ' HG2' ' N ' ' A' ' 128' ' ' GLU . 66.9 ttp -81.47 156.1 25.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.442 ' N ' ' HG2' ' A' ' 127' ' ' MET . 40.6 mt-10 -142.43 113.8 7.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 110.311 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -119.98 126.51 51.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 109.639 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.32 125.25 43.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.287 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 96' ' ' PHE . 0.2 OUTLIER -99.62 144.37 28.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.157 . . . . 0.0 109.302 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.508 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 7.7 ptp180 -115.24 154.75 28.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.282 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 1.9 t -91.87 144.61 25.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 108.29 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.597 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 65.2 t -137.16 133.05 47.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.519 ' CG ' ' CE1' ' A' ' 129' ' ' HIS . 53.5 t80 -75.6 94.87 3.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.678 ' HG3' ' CE1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -63.93 84.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.17 154.64 46.56 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.48 1.113 . . . . 0.0 111.014 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.5 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.2 Cg_endo -75.01 -18.5 18.66 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.471 1.774 . . . . 0.0 110.97 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.448 ' HA ' ' CG2' ' A' ' 47' ' ' THR . 0.4 OUTLIER -125.04 -69.31 0.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.445 ' CD2' ' HB ' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -109.64 128.81 55.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.248 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.678 ' CE1' ' HG3' ' A' ' 15' ' ' LYS . 6.8 m170 -82.95 120.38 25.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.631 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.637 ' CG2' ' CD2' ' A' ' 129' ' ' HIS . 1.5 mm -94.16 136.49 25.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.456 ' HA ' ' C ' ' A' ' 23' ' ' PRO . 0.3 OUTLIER -145.1 129.21 8.79 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.026 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.524 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 18.2 Cg_endo -75.04 -161.67 2.56 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 120.994 -2.503 . . . . 0.0 110.965 0.049 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.58 -107.28 0.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.452 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 0.3 OUTLIER -100.69 65.13 1.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.327 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.524 ' O ' ' HG2' ' A' ' 23' ' ' PRO . 0.0 OUTLIER -163.98 146.85 9.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.298 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.524 ' CD1' HG21 ' A' ' 39' ' ' THR . 1.0 OUTLIER -147.63 123.0 10.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -121.25 102.59 8.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 111.046 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 -179.978 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.5 mttm . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.484 ' HD2' ' CG2' ' A' ' 81' ' ' ILE . 0.2 OUTLIER -150.16 142.31 24.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.524 HG21 ' CD1' ' A' ' 27' ' ' LEU . 14.5 t -110.31 163.82 13.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.112 . . . . 0.0 110.371 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.504 ' CD1' ' C ' ' A' ' 80' ' ' ILE . 0.3 OUTLIER -132.76 117.65 18.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.232 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.467 HD13 ' CD1' ' A' ' 98' ' ' ILE . 21.5 mt -92.52 130.92 40.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 t -106.07 133.13 51.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.475 ' CD2' HD13 ' A' ' 21' ' ' ILE . 27.8 mt -116.04 101.16 8.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.412 ' C ' HD12 ' A' ' 19' ' ' LEU . 0.9 OUTLIER -91.22 108.56 19.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.415 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.414 ' OD1' ' OG1' ' A' ' 47' ' ' THR . 52.4 t-20 -78.57 106.05 10.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.406 HG23 ' N ' ' A' ' 47' ' ' THR . 35.6 m -85.78 -39.25 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.448 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 1.6 p -51.7 154.96 1.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.406 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.93 29.76 2.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.415 ' O ' ' C ' ' A' ' 50' ' ' ILE . 7.5 m-80 -152.07 137.01 17.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.269 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.415 ' C ' ' O ' ' A' ' 49' ' ' ASN . 23.8 mt -38.85 148.35 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.445 ' HB ' ' CD2' ' A' ' 19' ' ' LEU . 73.6 t -138.77 123.1 20.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.401 ' HB3' ' CD2' ' A' ' 114' ' ' LEU . . . -84.39 131.9 34.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.355 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.594 ' CE1' HD11 ' A' ' 80' ' ' ILE . 44.4 p90 -124.39 144.56 49.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.992 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.57 ' HE3' ' CD1' ' A' ' 118' ' ' TRP . 9.5 mttt -137.49 124.25 21.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 39.9 t -95.13 121.99 46.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -126.73 141.57 51.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.532 1.145 . . . . 0.0 110.304 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.1 t -135.48 170.89 15.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 110.375 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 24.1 p -88.26 21.22 2.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.415 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.499 ' HB2' ' CD2' ' A' ' 63' ' ' TYR . . . -164.65 75.32 1.53 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.127 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -1.24 10.98 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.53 1.805 . . . . 0.0 110.965 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.467 ' O ' ' CD2' ' A' ' 85' ' ' HIS . 14.1 pt-20 -118.82 12.1 12.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 85' ' ' HIS . 20.1 mttt -124.79 -50.2 1.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.356 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.571 ' CE2' ' OD1' ' A' ' 94' ' ' ASP . 31.1 m-85 -102.64 115.22 30.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 110.969 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.28 106.81 13.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.325 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.438 ' CG1' HG23 ' A' ' 82' ' ' VAL . 2.1 t -104.51 132.43 51.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.503 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.0 OUTLIER -163.01 134.51 3.79 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 66' ' ' LYS . 18.3 Cg_endo -74.99 133.68 32.5 Favored 'Cis proline' 0 C--N 1.359 1.12 0 C-N-CA 121.024 -2.49 . . . . 0.0 111.038 -0.029 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.426 ' N ' ' HA ' ' A' ' 66' ' ' LYS . 88.6 p -110.97 45.43 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.983 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 164.11 88.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.437 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 3.3 t -173.37 -177.34 1.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.006 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 54.4 p -124.51 158.31 33.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.018 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 44.4 t -118.2 116.4 26.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 108.304 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -53.02 161.97 1.13 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 138.73 23.3 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.65 32.87 71.03 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -138.46 -179.16 5.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 0.745 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.5 p -143.54 134.47 25.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.999 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.447 HG22 ' CD1' ' A' ' 80' ' ' ILE . 1.1 tt -104.78 169.96 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -128.77 118.38 22.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.594 HD11 ' CE1' ' A' ' 53' ' ' PHE . 3.7 mm -114.55 111.54 36.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.484 ' CG2' ' HD2' ' A' ' 38' ' ' LYS . 1.9 mp -82.15 147.22 6.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.679 ' CG1' ' CZ ' ' A' ' 96' ' ' PHE . 64.2 t -140.72 98.52 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 29.5 t -125.04 143.64 44.73 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 110.008 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 171.42 18.35 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.534 1.807 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.467 ' CD2' ' O ' ' A' ' 61' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.586 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.453 ' OG1' ' N ' ' A' ' 90' ' ' VAL . 1.4 t . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.453 ' N ' ' OG1' ' A' ' 89' ' ' THR . 1.3 m -84.99 135.02 25.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.138 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.42 -168.96 1.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.004 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -85.66 -9.67 56.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -92.56 -25.77 18.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 110.306 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.571 ' OD1' ' CE2' ' A' ' 63' ' ' TYR . 42.8 t0 -60.12 128.35 36.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.155 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.426 ' HG3' ' N ' ' A' ' 96' ' ' PHE . 7.5 tpp180 -133.16 142.76 48.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.679 ' CZ ' ' CG1' ' A' ' 82' ' ' VAL . 38.4 m-85 -115.47 154.32 29.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.477 ' CD1' ' HB3' ' A' ' 128' ' ' GLU . 24.7 tp -137.76 146.4 43.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.527 ' CG2' ' CD1' ' A' ' 21' ' ' ILE . 3.4 mt -136.71 120.93 24.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.547 ' HB3' ' CH2' ' A' ' 118' ' ' TRP . 9.9 mtm -93.83 156.14 16.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.415 ' O ' ' HB3' ' A' ' 127' ' ' MET . . . -161.41 121.0 2.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.437 ' HB3' ' CZ ' ' A' ' 117' ' ' PHE . . . -133.41 130.32 38.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.403 ' OE1' ' ND2' ' A' ' 49' ' ' ASN . 0.7 OUTLIER -70.34 120.4 15.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.563 ' HA ' ' CE1' ' A' ' 117' ' ' PHE . 12.5 mtp -85.59 171.71 11.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -79.91 -169.83 2.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -52.35 -84.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.266 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.27 121.88 22.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.1 . . . . 0.0 109.973 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.2 m -122.82 130.25 52.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 110.003 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -79.92 -29.75 45.7 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.57 1.169 . . . . 0.0 110.963 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 59.7 p 46.99 70.55 0.39 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.544 0.791 . . . . 0.0 110.389 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.408 ' O ' ' CG ' ' A' ' 114' ' ' LEU . . . -140.59 -158.78 7.69 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.477 1.111 . . . . 0.0 111.026 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -50.49 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.542 1.812 . . . . 0.0 110.977 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -73.45 -64.09 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.252 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 112' ' ' ALA . 0.5 OUTLIER -34.43 -54.45 0.53 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.327 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 118' ' ' TRP . 73.0 mt -56.57 -64.79 0.75 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.169 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.411 ' O ' ' CG ' ' A' ' 119' ' ' LYS . 0.1 OUTLIER -47.75 -31.6 4.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.003 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.522 ' HA ' ' CG ' ' A' ' 119' ' ' LYS . 1.6 mt-30 -79.33 -31.2 43.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.337 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.563 ' CE1' ' HA ' ' A' ' 103' ' ' MET . 33.8 t80 -85.38 -21.79 28.69 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . 0.57 ' CD1' ' HE3' ' A' ' 54' ' ' LYS . 60.9 m95 -89.32 -23.39 22.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 108.047 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.522 ' CG ' ' HA ' ' A' ' 116' ' ' GLN . 0.0 OUTLIER -86.99 -27.99 22.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.274 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.46 ' CG ' ' HD2' ' A' ' 119' ' ' LYS . 2.3 mt-10 -86.09 -39.84 16.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.555 1.16 . . . . 0.0 110.316 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.509 ' CG1' ' O ' ' A' ' 117' ' ' PHE . 7.4 p -69.04 127.42 93.08 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.493 ' HG2' ' CG ' ' A' ' 125' ' ' LYS . 18.2 Cg_endo -75.03 172.63 16.0 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.486 1.782 . . . . 0.0 111.017 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.68 -20.71 60.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -76.22 -20.07 57.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.09 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.493 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 18.5 mmtt -103.94 -16.48 15.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.091 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 41.5 t -78.44 104.8 6.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' MET . . . . . 0.5 ' SD ' ' HD2' ' A' ' 17' ' ' PRO . 22.5 ttp -80.82 99.83 8.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 111.031 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.477 ' HB3' ' CD1' ' A' ' 97' ' ' LEU . 26.6 mt-10 -97.96 135.75 39.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . 0.637 ' CD2' ' CG2' ' A' ' 21' ' ' ILE . 71.7 t60 -128.51 114.98 17.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.591 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.11 121.78 32.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.49 ' CD1' ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -93.71 149.47 21.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.326 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.474 ' O ' ' N ' ' A' ' 27' ' ' LEU . 4.7 ptm180 -129.36 149.07 51.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 110.248 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 12.3 t -88.09 156.37 19.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 108.345 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.63 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -124.71 138.45 54.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.559 ' CD2' ' ND1' ' A' ' 129' ' ' HIS . 3.2 t80 -75.15 96.06 3.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.588 ' HG3' ' CE1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -52.2 97.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.462 ' H ' ' CD2' ' A' ' 20' ' ' HIS . . . -88.2 157.62 28.27 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.413 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.4 Cg_endo -74.98 -17.53 19.52 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.54 1.811 . . . . 0.0 111.068 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.425 ' HA ' ' CG2' ' A' ' 47' ' ' THR . 0.3 OUTLIER -128.05 -76.6 0.56 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.437 HD13 ' C ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -102.55 127.59 49.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.588 ' CE1' ' HG3' ' A' ' 15' ' ' LYS . 10.5 m170 -79.65 126.28 30.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.6 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.562 ' CD1' ' CG2' ' A' ' 98' ' ' ILE . 1.5 mm -95.51 137.36 23.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.469 ' HA ' ' C ' ' A' ' 23' ' ' PRO . 0.3 OUTLIER -146.89 130.71 8.38 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.03 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.516 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 18.4 Cg_endo -75.0 -164.38 3.58 Favored 'Cis proline' 0 C--N 1.36 1.134 0 C-N-CA 121.006 -2.497 . . . . 0.0 111.03 -0.029 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.473 ' O ' ' NE2' ' A' ' 129' ' ' HIS . . . -78.08 -106.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -110.01 65.37 0.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.323 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.516 ' O ' ' HG2' ' A' ' 23' ' ' PRO . 10.9 pt-20 -163.04 147.29 11.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.319 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.5 mt -149.09 133.78 17.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -131.43 101.98 5.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.148 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.527 ' CE1' HG21 ' A' ' 90' ' ' VAL . 19.5 m-85 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.1 mttt . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.493 ' HG2' ' N ' ' A' ' 39' ' ' THR . 0.0 OUTLIER -142.88 141.89 31.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.493 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 7.8 t -106.09 162.46 13.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.4 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.506 ' CD1' ' C ' ' A' ' 80' ' ' ILE . 0.7 OUTLIER -131.86 116.92 17.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.459 ' N ' HD11 ' A' ' 40' ' ' LEU . 21.9 mt -90.81 139.35 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 t -114.53 133.92 59.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.472 ' CD2' HD11 ' A' ' 21' ' ' ILE . 58.6 mt -118.57 104.53 10.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.437 ' C ' HD13 ' A' ' 19' ' ' LEU . 1.2 m -94.66 104.28 16.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.377 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 72' ' ' CYS . 19.5 t-20 -75.89 106.91 7.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.5 m -85.09 -38.39 13.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.425 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 1.7 p -49.56 155.11 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.414 1.071 . . . . 0.0 110.432 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.28 28.83 3.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' ' 50' ' ' ILE . 6.6 m-80 -149.93 139.62 21.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 103' ' ' MET . 12.3 mt -39.27 140.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.424 ' O ' ' OG ' ' A' ' 71' ' ' SER . 58.4 t -134.54 117.61 24.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.481 ' HB2' ' CD1' ' A' ' 114' ' ' LEU . . . -80.28 133.58 35.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.579 ' CE1' HD13 ' A' ' 80' ' ' ILE . 31.8 p90 -123.99 161.6 25.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.956 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.488 ' HD2' ' CE2' ' A' ' 118' ' ' TRP . 0.3 OUTLIER -154.08 148.35 25.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.333 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 80.5 t -122.13 114.3 42.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.257 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -121.27 144.8 48.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.171 . . . . 0.0 110.277 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.9 t -137.28 168.3 19.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.392 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 18.9 p -79.38 3.15 19.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 110.432 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.551 ' HB3' ' CD2' ' A' ' 63' ' ' TYR . . . -150.84 76.61 8.02 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -28.21 9.46 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.476 1.777 . . . . 0.0 111.044 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -88.99 8.93 27.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.258 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.6 mttm -119.48 -46.15 2.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.112 . . . . 0.0 109.29 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.591 ' CE2' ' CG ' ' A' ' 94' ' ' ASP . 44.1 m-85 -105.04 117.2 33.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 111.001 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.78 106.35 11.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.288 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.1 t -104.38 131.23 53.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.485 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.0 OUTLIER -162.98 129.12 2.31 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.485 ' C ' ' HA ' ' A' ' 66' ' ' LYS . 18.3 Cg_endo -75.03 141.53 72.03 Favored 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 120.998 -2.501 . . . . 0.0 110.982 0.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 87.5 p -113.58 24.76 11.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 110.018 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 62.1 t-20 179.8 109.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.9 -163.65 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.488 1.118 . . . . 0.0 110.031 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.477 ' HB3' ' CG2' ' A' ' 109' ' ' THR . 3.7 t -136.93 167.99 20.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 0.0 110.03 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.443 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 51.7 t -129.41 122.85 30.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 108.307 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -55.66 161.26 3.32 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 134.71 18.14 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.495 1.787 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.67 38.13 51.16 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -143.66 179.95 6.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 0.746 . . . . 0.0 109.303 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.3 p -140.84 135.01 30.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.043 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.459 ' CG2' ' HB2' ' A' ' 43' ' ' LEU . 1.1 tt -105.21 172.27 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.405 ' O ' ' HD2' ' A' ' 67' ' ' PRO . 5.5 m-20 -131.73 125.28 31.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.579 HD13 ' CE1' ' A' ' 53' ' ' PHE . 4.0 mm -120.56 107.75 21.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.474 HD11 ' CD2' ' A' ' 40' ' ' LEU . 2.0 mp -79.42 143.93 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.547 HG11 ' CZ ' ' A' ' 96' ' ' PHE . 53.9 t -134.47 97.68 2.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.1 t -119.3 135.87 24.21 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.995 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -176.53 2.93 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.495 1.787 . . . . 0.0 110.974 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.579 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.415 ' OG1' ' N ' ' A' ' 90' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.419 -0.215 . . . . 0.0 110.419 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.527 HG21 ' CE1' ' A' ' 29' ' ' PHE . 2.4 p -139.65 84.44 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.02 -162.6 0.62 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.972 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -98.8 27.15 5.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -108.69 -26.68 10.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.591 ' CG ' ' CE2' ' A' ' 63' ' ' TYR . 1.6 t0 -85.6 128.42 34.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.68 142.04 46.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.293 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.547 ' CZ ' HG11 ' A' ' 82' ' ' VAL . 39.2 m-85 -108.18 154.74 21.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 56' ' ' ARG . 2.9 tm? -138.15 144.99 41.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.562 ' CG2' ' CD1' ' A' ' 21' ' ' ILE . 4.7 mt -136.74 131.84 47.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.587 ' HE3' ' CZ3' ' A' ' 118' ' ' TRP . 3.3 mtp -110.03 152.2 26.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.941 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -159.45 117.0 2.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.421 ' HB1' ' CZ ' ' A' ' 117' ' ' PHE . . . -127.44 135.97 51.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -69.44 117.27 10.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.281 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.576 ' HG2' ' CE1' ' A' ' 117' ' ' PHE . 0.0 OUTLIER -97.8 172.34 7.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.958 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -64.71 -141.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.252 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.422 ' HG3' ' N ' ' A' ' 106' ' ' SER . 19.3 pt20 -111.58 -44.2 3.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.298 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.422 ' N ' ' HG3' ' A' ' 105' ' ' GLN . 0.5 OUTLIER -90.58 120.68 31.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.011 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -171.97 136.81 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.989 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.403 ' O ' ' OG1' ' A' ' 109' ' ' THR . . . -86.67 -5.63 81.35 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.512 1.132 . . . . 0.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.536 ' C ' ' CD2' ' A' ' 114' ' ' LEU . 38.2 p 46.2 30.77 1.04 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 0.737 . . . . 0.0 110.396 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.497 ' O ' HD23 ' A' ' 114' ' ' LEU . . . -82.75 -167.17 40.38 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.514 1.134 . . . . 0.0 111.029 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -20.14 17.14 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.52 1.8 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -93.48 -64.27 1.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 112' ' ' ALA . 3.2 mm-40 -38.41 -49.61 1.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.316 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.536 ' CD2' ' C ' ' A' ' 109' ' ' THR . 2.5 mm? -53.52 -70.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 114' ' ' LEU . 0.3 OUTLIER -38.76 -43.88 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.008 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -56.87 -62.39 1.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 110.276 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.576 ' CE1' ' HG2' ' A' ' 103' ' ' MET . 23.1 t80 -56.58 -37.47 70.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 111.028 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . 0.587 ' CZ3' ' HE3' ' A' ' 99' ' ' MET . 87.9 m95 -72.03 -12.31 61.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 108.027 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.21 -23.62 17.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -98.61 -42.96 7.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.512 ' CG1' ' O ' ' A' ' 117' ' ' PHE . 9.7 p -69.38 124.18 89.93 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.563 ' HG2' ' CG ' ' A' ' 125' ' ' LYS . 18.4 Cg_endo -74.96 166.57 28.94 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.508 1.794 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.515 ' C ' ' CD ' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -79.26 -1.19 35.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . 0.505 ' N ' ' HD2' ' A' ' 123' ' ' ARG . 0.6 OUTLIER -102.77 -3.49 26.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.563 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 34.8 mmtt -109.25 -28.15 9.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.577 HG21 ' CH2' ' A' ' 118' ' ' TRP . 4.4 p -90.61 140.26 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' MET . . . . . 0.469 ' HG2' ' N ' ' A' ' 128' ' ' GLU . 63.1 ttp -79.73 155.49 27.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.469 ' N ' ' HG2' ' A' ' 127' ' ' MET . 50.2 mt-10 -135.18 121.38 20.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.281 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . 0.559 ' ND1' ' CD2' ' A' ' 14' ' ' PHE . 73.0 t60 -122.88 124.46 43.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.602 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -101.44 121.62 42.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.491 HD23 ' CD2' ' A' ' 129' ' ' HIS . 0.2 OUTLIER -92.53 145.15 24.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.235 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -117.17 150.26 39.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 3.9 m -88.38 132.65 34.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 108.264 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.541 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.1 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.404 ' CG2' ' OG ' ' A' ' 22' ' ' SER . 52.9 t -127.48 125.55 65.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.413 ' O ' ' N ' ' A' ' 16' ' ' GLY . 59.7 t80 -73.73 95.25 2.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 110.936 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.612 ' CG ' ' CE1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -65.43 79.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.616 ' N ' ' CD2' ' A' ' 20' ' ' HIS . . . -61.56 161.44 26.92 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.486 1.116 . . . . 0.0 110.965 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -18.2 18.88 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.515 1.797 . . . . 0.0 111.024 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.469 ' O ' ' O ' ' A' ' 46' ' ' VAL . 3.1 mt -128.37 -69.05 0.74 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.409 HD12 ' N ' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -107.51 125.36 51.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.132 . . . . 0.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.616 ' CD2' ' N ' ' A' ' 16' ' ' GLY . 13.4 m170 -85.8 123.89 31.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.607 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.463 ' CD1' ' HB3' ' A' ' 129' ' ' HIS . 28.6 mt -95.86 160.5 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.441 ' HA ' ' C ' ' A' ' 23' ' ' PRO . 0.4 OUTLIER -157.67 128.81 3.72 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.015 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.441 ' C ' ' HA ' ' A' ' 22' ' ' SER . 18.2 Cg_endo -75.0 -164.04 3.42 Favored 'Cis proline' 0 C--N 1.36 1.176 0 C-N-CA 120.965 -2.515 . . . . 0.0 111.049 -0.049 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.38 -91.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.503 ' HG3' ' CE1' ' A' ' 129' ' ' HIS . 27.1 mt-10 -132.71 62.85 1.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.345 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.412 ' O ' ' HG2' ' A' ' 23' ' ' PRO . 0.0 OUTLIER -162.07 102.85 1.13 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 110.316 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.469 ' HG ' ' CG2' ' A' ' 39' ' ' THR . 1.6 tp -99.43 119.62 38.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.572 ' CE1' ' HB3' ' A' ' 134' ' ' HIS . 1.7 m-85 -109.04 98.79 8.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.427 ' CZ ' HD23 ' A' ' 27' ' ' LEU . 88.7 m-85 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.978 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.7 mttt . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.423 ' C ' ' CD ' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -123.98 151.14 44.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.469 ' CG2' ' HG ' ' A' ' 27' ' ' LEU . 2.3 t -116.43 159.95 21.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.408 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.502 HD11 ' N ' ' A' ' 41' ' ' ILE . 2.2 tp -133.07 118.1 18.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.502 ' N ' HD11 ' A' ' 40' ' ' LEU . 33.7 mt -89.7 144.01 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 t -113.66 139.99 36.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.461 ' HB2' ' CG2' ' A' ' 78' ' ' ILE . 41.3 mt -124.91 105.11 8.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.367 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.406 ' C ' HD13 ' A' ' 19' ' ' LEU . 2.0 m -90.39 98.81 11.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.442 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 73' ' ' ASP . 25.3 t-20 -45.66 101.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.735 ' CG1' ' O ' ' A' ' 46' ' ' VAL . 1.6 t -103.49 67.23 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.088 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.518 ' CG2' ' O ' ' A' ' 46' ' ' VAL . 25.4 p -157.77 174.75 14.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.385 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.402 ' O ' ' CG ' ' A' ' 49' ' ' ASN . 0.0 OUTLIER -104.97 20.7 18.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.243 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.402 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 9.8 m-80 -163.45 155.42 17.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.429 1.081 . . . . 0.0 109.341 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 17.9 mt -43.09 147.42 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.496 ' CG2' ' OG1' ' A' ' 47' ' ' THR . 71.2 t -134.27 120.6 34.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.442 ' HA ' ' CB ' ' A' ' 71' ' ' SER . . . -88.29 123.05 32.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.589 ' CE2' HD13 ' A' ' 80' ' ' ILE . 47.1 p90 -117.01 164.4 14.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 111.027 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.513 ' HG3' ' CZ2' ' A' ' 118' ' ' TRP . 22.7 mttt -151.98 147.04 26.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 88.4 t -114.4 122.11 67.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -123.03 173.8 7.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -172.36 161.5 5.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.398 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 25.5 p -77.92 1.63 19.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.389 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.456 ' CB ' ' HD3' ' A' ' 62' ' ' LYS . . . -154.47 74.75 5.9 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.25 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -4.0 14.75 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.491 1.785 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -105.4 19.62 20.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 110.266 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.456 ' HD3' ' CB ' ' A' ' 59' ' ' ALA . 1.8 mtpm? -131.92 -45.11 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.596 ' CE2' ' OD2' ' A' ' 94' ' ' ASP . 68.9 m-85 -101.41 125.2 48.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -87.78 96.47 10.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.108 . . . . 0.0 110.317 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.486 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 0.7 OUTLIER -96.78 116.64 39.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.434 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.0 OUTLIER -148.27 125.41 5.59 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.464 ' HD2' ' CD1' ' A' ' 80' ' ' ILE . 18.3 Cg_endo -75.0 159.22 98.34 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 121.027 -2.489 . . . . 0.0 110.994 0.035 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.461 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 73.8 p -113.96 -30.75 6.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.002 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 -133.42 100.69 4.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -162.94 -178.23 5.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.972 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.442 ' CB ' ' HA ' ' A' ' 52' ' ' ALA . 66.6 p -137.09 152.94 50.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.989 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.444 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 41.0 t -118.77 143.16 47.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 108.32 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.466 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 0.7 OUTLIER -77.08 168.95 23.8 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 124.75 8.87 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.56 1.821 . . . . 0.0 110.983 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 85.1 38.16 9.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.463 1.102 . . . . 0.0 110.988 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -143.57 169.55 17.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 0.777 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.1 p -135.03 134.65 40.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.988 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.461 ' CG2' ' HB2' ' A' ' 43' ' ' LEU . 0.7 OUTLIER -105.62 171.39 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.424 ' CA ' HD13 ' A' ' 40' ' ' LEU . 3.3 p-10 -132.13 121.96 24.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.589 HD13 ' CE2' ' A' ' 53' ' ' PHE . 4.7 mm -115.3 96.66 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.6 mp -73.84 122.44 26.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.476 ' CG1' ' CZ ' ' A' ' 96' ' ' PHE . 60.8 t -113.21 99.8 9.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.1 p -117.63 133.38 23.3 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.999 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 176.35 10.02 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.481 1.78 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.616 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.404 ' OG1' ' N ' ' A' ' 90' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.404 ' N ' ' OG1' ' A' ' 89' ' ' THR . 2.3 p -91.17 132.32 35.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.3 t -128.65 175.47 8.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.005 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -90.73 39.18 0.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -112.68 -26.9 8.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.596 ' OD2' ' CE2' ' A' ' 63' ' ' TYR . 0.5 OUTLIER -97.32 172.49 7.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.355 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.43 ' HG3' ' N ' ' A' ' 96' ' ' PHE . 4.7 tpp180 -149.77 143.45 25.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.476 ' CZ ' ' CG1' ' A' ' 82' ' ' VAL . 28.8 m-85 -105.5 154.48 20.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.964 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.451 ' CD1' ' HG3' ' A' ' 99' ' ' MET . 2.0 tm? -137.68 139.97 40.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.439 HG22 ' CD1' ' A' ' 21' ' ' ILE . 2.7 mt -127.97 132.52 68.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.591 ' HE1' ' CH2' ' A' ' 118' ' ' TRP . 13.2 mtp -110.5 155.74 21.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -162.62 117.34 1.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.476 ' HB3' ' CB ' ' A' ' 126' ' ' VAL . . . -129.73 133.64 47.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.34 129.0 38.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.532 ' CG ' ' CZ ' ' A' ' 117' ' ' PHE . 10.0 mtp -97.04 171.77 8.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -74.97 -170.87 1.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -49.06 -95.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.285 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.02 107.34 19.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.008 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 16.5 m -127.97 125.87 40.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.408 1.067 . . . . 0.0 110.031 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -60.88 130.0 47.29 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.504 1.127 . . . . 0.0 111.024 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 61.6 p -98.47 55.84 1.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 0.75 . . . . 0.0 110.43 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -110.25 -175.49 20.74 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.536 1.148 . . . . 0.0 111.01 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -15.79 20.51 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.515 1.797 . . . . 0.0 110.981 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -92.11 -70.49 0.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 112' ' ' ALA . 2.7 mm-40 -37.0 -46.89 0.68 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 95.9 mt -61.82 -66.01 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.9 t -38.1 -39.0 0.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.045 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -74.65 -53.17 9.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.302 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.532 ' CZ ' ' CG ' ' A' ' 103' ' ' MET . 91.9 t80 -58.67 -27.35 64.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . 0.591 ' CH2' ' HE1' ' A' ' 99' ' ' MET . 58.2 m95 -82.85 -14.4 54.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 107.992 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.422 ' C ' ' HD3' ' A' ' 119' ' ' LYS . 0.0 OUTLIER -94.69 -20.35 19.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -96.51 -43.78 7.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.521 ' CG1' ' O ' ' A' ' 117' ' ' PHE . 9.2 p -70.14 120.18 76.5 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.128 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.511 ' HG2' ' CG ' ' A' ' 125' ' ' LYS . 18.2 Cg_endo -75.05 178.9 6.66 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.487 1.783 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.419 ' HA ' ' CG1' ' A' ' 126' ' ' VAL . 0.0 OUTLIER -84.98 0.92 49.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 110.327 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -101.2 -14.96 17.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.511 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 25.4 mmtt -102.62 -27.69 12.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.578 HG22 ' CZ3' ' A' ' 118' ' ' TRP . 14.2 p -94.21 137.53 22.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 109.342 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' MET . . . . . 0.462 ' SD ' ' N ' ' A' ' 128' ' ' GLU . 18.5 tmm? -80.69 151.57 28.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.462 ' N ' ' SD ' ' A' ' 127' ' ' MET . 58.4 mt-10 -138.13 128.37 25.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . 0.503 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 73.3 t60 -136.21 125.75 25.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.61 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -97.41 123.39 41.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.277 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.35 150.3 20.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.497 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -124.9 146.67 49.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.333 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 20.0 p -86.49 143.33 27.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 108.322 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . 0.572 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.569 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.9 p . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 67.2 t -140.04 123.24 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.679 ' CD2' ' ND1' ' A' ' 129' ' ' HIS . 18.5 t80 -73.51 95.13 2.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.546 ' HD3' ' CE1' ' A' ' 20' ' ' HIS . 18.0 mmtp -60.35 99.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.465 ' H ' ' CD2' ' A' ' 20' ' ' HIS . . . -85.76 157.63 31.32 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.536 1.147 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.41 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.4 Cg_endo -74.94 -17.2 19.9 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.503 1.791 . . . . 0.0 111.02 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.484 ' HA ' ' CG2' ' A' ' 47' ' ' THR . 1.2 mt -123.95 -75.91 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.504 HD12 ' CD2' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -108.99 126.47 53.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.232 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.546 ' CE1' ' HD3' ' A' ' 15' ' ' LYS . 17.3 m170 -78.6 119.0 21.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.603 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.492 HG12 ' CD2' ' A' ' 43' ' ' LEU . 40.5 mt -96.02 150.76 4.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.495 ' HA ' ' C ' ' A' ' 23' ' ' PRO . 2.5 m -147.97 141.71 15.84 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.982 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' A' ' 22' ' ' SER . 18.4 Cg_endo -74.97 -161.96 2.64 Favored 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 121.042 -2.483 . . . . 0.0 111.002 0.033 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.499 ' O ' ' NE2' ' A' ' 129' ' ' HIS . . . -81.06 -89.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -129.21 55.63 1.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.291 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.429 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 8.6 pt-20 -163.44 104.38 0.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.268 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.489 ' CD2' ' OG1' ' A' ' 39' ' ' THR . 7.8 mt -103.21 128.48 50.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -125.31 112.72 16.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 110.982 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 111.033 179.956 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.7 mttp . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.44 ' HG2' ' N ' ' A' ' 39' ' ' THR . 0.0 OUTLIER -130.57 145.71 51.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.489 ' OG1' ' CD2' ' A' ' 27' ' ' LEU . 10.2 t -104.91 158.17 16.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.357 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.505 ' CD1' ' C ' ' A' ' 80' ' ' ILE . 0.5 OUTLIER -132.48 118.31 19.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.348 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.473 ' CG2' ' O ' ' A' ' 22' ' ' SER . 16.6 mt -90.7 137.38 21.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.1 t -114.48 127.6 71.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.504 ' CD2' HD12 ' A' ' 19' ' ' LEU . 32.5 mt -110.97 104.51 13.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.427 ' N ' ' O ' ' A' ' 20' ' ' HIS . 1.0 OUTLIER -93.42 105.73 17.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 110.402 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.428 ' OD1' ' OG1' ' A' ' 47' ' ' THR . 54.3 t-20 -76.33 105.23 7.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.446 ' CG2' ' O ' ' A' ' 18' ' ' LEU . 14.1 m -86.78 -39.77 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.484 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 1.5 p -50.51 162.82 0.21 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.402 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -89.69 24.64 2.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.42 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 36.2 m-80 -150.14 168.21 24.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.449 ' CG2' ' HB2' ' A' ' 71' ' ' SER . 52.3 mt -65.76 159.47 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.494 ' CG1' ' HB2' ' A' ' 19' ' ' LEU . 95.6 t -135.57 105.34 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.565 ' HB3' ' CE2' ' A' ' 117' ' ' PHE . . . -67.08 102.86 1.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.603 ' CZ ' ' HB3' ' A' ' 70' ' ' SER . 37.8 p90 -96.62 159.84 14.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.569 ' HE3' ' CD1' ' A' ' 118' ' ' TRP . 13.2 mttt -158.7 131.94 7.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.487 ' CG1' HG11 ' A' ' 65' ' ' VAL . 36.9 t -100.67 121.62 51.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -126.34 144.01 50.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.75 158.24 44.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.385 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 45.4 p -73.95 -8.04 54.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 110.352 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.455 ' CB ' ' HD3' ' A' ' 62' ' ' LYS . . . -152.34 74.14 7.46 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 0.31 9.04 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.544 1.813 . . . . 0.0 111.041 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -94.2 48.75 1.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.316 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.575 ' HA ' ' CD2' ' A' ' 85' ' ' HIS . 0.1 OUTLIER -173.51 -38.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 0.0 109.315 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.526 ' CZ ' ' HE3' ' A' ' 62' ' ' LYS . 52.2 m-85 -100.79 115.0 29.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -84.29 94.25 8.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 110.305 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.496 ' CG1' HG23 ' A' ' 82' ' ' VAL . 2.1 t -91.35 132.09 36.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.506 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.3 OUTLIER -163.44 132.99 3.09 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 66' ' ' LYS . 18.3 Cg_endo -75.03 142.89 76.07 Favored 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 120.991 -2.504 . . . . 0.0 111.018 0.064 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.6 p -112.73 28.26 8.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.975 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.404 ' O ' ' HB2' ' A' ' 70' ' ' SER . 6.5 p30 -179.82 106.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.603 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 31.2 t 175.44 -170.24 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.009 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.454 ' N ' ' OG ' ' A' ' 70' ' ' SER . 0.5 OUTLIER -138.76 135.44 34.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.986 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 49.2 t -91.05 128.69 36.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 108.309 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -69.46 160.41 79.43 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 143.27 28.93 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.475 1.776 . . . . 0.0 110.956 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.99 25.36 75.69 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -142.23 178.99 7.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 109.264 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.4 p -140.63 140.42 35.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.978 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.457 ' CG2' ' HB2' ' A' ' 43' ' ' LEU . 1.0 OUTLIER -104.57 172.06 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -132.06 123.96 28.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.576 HD13 ' CE1' ' A' ' 53' ' ' PHE . 2.0 mm -121.38 109.83 26.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.489 HD11 ' CD2' ' A' ' 40' ' ' LEU . 2.0 mp -83.55 146.82 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.526 HG12 ' CZ ' ' A' ' 96' ' ' PHE . 36.2 t -139.91 97.73 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.43 128.11 26.23 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.992 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 168.32 25.11 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.527 1.804 . . . . 0.0 111.036 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.575 ' CD2' ' HA ' ' A' ' 62' ' ' LYS . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.615 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 37.8 p . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 1.2 m -97.13 6.19 8.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.4 m 44.91 -164.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.019 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -128.04 -45.02 1.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -66.55 -14.3 62.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.425 ' OD1' ' CE2' ' A' ' 63' ' ' TYR . 0.9 OUTLIER -64.48 102.13 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.4 tpp85 -99.29 143.19 29.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.526 ' CZ ' HG12 ' A' ' 82' ' ' VAL . 22.1 m-85 -111.04 152.66 26.62 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 56' ' ' ARG . 2.1 tm? -135.4 144.05 46.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.487 ' CG2' HD11 ' A' ' 21' ' ' ILE . 5.6 mt -136.89 123.5 29.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.127 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.603 ' HE3' ' CZ3' ' A' ' 118' ' ' TRP . 3.4 mtp -97.06 157.67 15.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -162.32 118.14 1.94 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.504 ' HB2' ' CE2' ' A' ' 117' ' ' PHE . . . -129.65 135.99 49.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.93 115.46 8.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.588 ' HG2' ' CZ ' ' A' ' 117' ' ' PHE . 0.0 OUTLIER -91.07 172.39 8.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.994 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.36 -145.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.333 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -107.2 -36.77 6.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.47 108.67 21.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.016 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 55.5 m -152.17 152.7 32.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.984 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -108.74 -3.98 32.07 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.131 . . . . 0.0 110.967 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.538 ' HA ' ' CD2' ' A' ' 114' ' ' LEU . 64.5 p 45.7 34.63 1.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 0.756 . . . . 0.0 110.366 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.57 ' O ' HD21 ' A' ' 114' ' ' LEU . . . -84.47 -169.14 45.25 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -25.33 12.04 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.52 1.8 . . . . 0.0 111.011 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.482 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -92.21 -63.05 1.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.482 ' C ' ' O ' ' A' ' 112' ' ' ALA . 3.3 mm-40 -32.33 -40.87 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.308 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.57 HD21 ' O ' ' A' ' 110' ' ' GLY . 3.6 mm? -71.38 -69.76 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.343 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 114' ' ' LEU . 0.2 OUTLIER -35.73 -33.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.018 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 114' ' ' LEU . 5.3 mm-40 -74.85 -58.55 3.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.588 ' CZ ' ' HG2' ' A' ' 103' ' ' MET . 53.1 t80 -55.44 -32.4 62.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 111.029 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . 0.603 ' CZ3' ' HE3' ' A' ' 99' ' ' MET . 79.2 m95 -74.79 -16.31 60.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 107.993 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.65 -22.41 21.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.464 ' CG ' ' N ' ' A' ' 121' ' ' VAL . 0.5 OUTLIER -98.34 -45.07 6.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 110.297 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.53 ' CG1' ' O ' ' A' ' 117' ' ' PHE . 9.6 p -72.26 120.53 80.91 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.43 1.081 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.528 ' HG2' ' CG ' ' A' ' 125' ' ' LYS . 18.2 Cg_endo -75.05 168.54 24.58 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.431 1.753 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.532 ' C ' ' CD ' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -78.36 1.71 21.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 110.296 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . 0.483 ' N ' ' HD2' ' A' ' 123' ' ' ARG . 1.1 t-20 -102.48 -10.15 19.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.528 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 32.8 mmtt -106.65 -26.78 11.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.592 HG21 ' CH2' ' A' ' 118' ' ' TRP . 7.4 p -92.22 136.69 23.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' MET . . . . . 0.41 ' SD ' ' HD2' ' A' ' 17' ' ' PRO . 35.8 ttp -79.98 143.16 34.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 111.043 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -123.6 116.72 23.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . 0.679 ' ND1' ' CD2' ' A' ' 14' ' ' PHE . 79.2 t60 -115.32 140.11 49.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 109.596 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -116.84 122.28 43.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 110.265 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.463 ' HB3' ' CD1' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -93.37 146.52 23.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 5.7 ptp180 -128.45 137.96 52.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 20.1 p -73.65 155.03 39.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 108.274 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 1.8 t60 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.568 179.977 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -122.87 141.36 43.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -80.26 95.79 6.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.607 ' HG3' ' CE1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -53.04 98.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.448 ' H ' ' CD2' ' A' ' 20' ' ' HIS . . . -87.65 157.36 28.68 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.545 1.153 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.416 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.6 Cg_endo -74.95 -18.89 18.48 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.496 1.787 . . . . 0.0 111.031 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.469 ' HA ' ' CG2' ' A' ' 47' ' ' THR . 3.9 mt -123.52 -76.41 0.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.483 ' CD1' ' HB3' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -108.65 132.7 53.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.363 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.607 ' CE1' ' HG3' ' A' ' 15' ' ' LYS . 18.1 m170 -78.42 157.65 28.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.64 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.598 HG21 ' CD2' ' A' ' 129' ' ' HIS . 3.6 mm -125.79 146.12 32.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.433 ' HA ' ' C ' ' A' ' 23' ' ' PRO . 1.5 t -158.08 127.37 3.15 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.938 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.433 ' C ' ' HA ' ' A' ' 22' ' ' SER . 18.2 Cg_endo -75.04 -172.8 11.28 Favored 'Cis proline' 0 C--N 1.361 1.194 0 C-N-CA 121.008 -2.497 . . . . 0.0 110.981 0.001 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.458 ' O ' ' NE2' ' A' ' 129' ' ' HIS . . . -71.41 -96.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.522 ' O ' ' CG ' ' A' ' 132' ' ' ARG . 0.7 OUTLIER -122.38 54.19 1.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.291 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.444 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 0.9 OUTLIER -163.82 103.28 0.9 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.322 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.479 ' CD2' ' OG1' ' A' ' 39' ' ' THR . 10.7 mt -97.63 137.45 36.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 0.0 109.256 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -130.0 91.95 3.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.417 ' CZ ' ' CG2' ' A' ' 39' ' ' THR . 25.1 m-85 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.122 . . . . 0.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.449 ' HD2' ' CG2' ' A' ' 81' ' ' ILE . 30.6 pttt -108.1 148.16 30.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.479 ' OG1' ' CD2' ' A' ' 27' ' ' LEU . 8.9 t -96.55 145.24 25.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.411 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.529 ' CD1' ' C ' ' A' ' 80' ' ' ILE . 0.7 OUTLIER -118.98 120.2 36.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.242 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.481 ' CD1' HD11 ' A' ' 98' ' ' ILE . 15.3 mt -91.16 127.51 43.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.0 t -106.54 141.8 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.483 ' HB3' ' CD1' ' A' ' 19' ' ' LEU . 2.4 mt -133.66 110.88 10.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.9 m -97.81 106.79 19.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.452 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.428 ' OD1' ' OG1' ' A' ' 47' ' ' THR . 52.5 t30 -72.73 100.66 2.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.448 HG12 ' CD2' ' A' ' 20' ' ' HIS . 12.4 m -75.28 -38.89 41.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.564 1.165 . . . . 0.0 109.344 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.469 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 2.6 p -53.89 153.18 4.93 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.49 1.119 . . . . 0.0 110.406 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.85 22.84 3.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.445 ' HB2' ' CD ' ' A' ' 102' ' ' GLU . 76.3 m-20 -137.18 159.55 41.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 27.4 mt -59.96 145.43 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.472 HG12 ' CD2' ' A' ' 19' ' ' LEU . 75.9 t -136.79 118.6 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.458 ' HA ' ' CB ' ' A' ' 71' ' ' SER . . . -88.47 120.6 30.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.574 ' CE2' HG23 ' A' ' 78' ' ' ILE . 20.9 p90 -115.3 156.85 24.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.15 . . . . 0.0 111.036 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.581 ' HG3' ' CZ2' ' A' ' 118' ' ' TRP . 8.2 mttm -144.57 119.53 9.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.256 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.466 HG13 ' CG1' ' A' ' 65' ' ' VAL . 21.5 t -97.8 119.63 46.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -127.38 172.08 10.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.5 t -153.71 170.73 20.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 110.42 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.0 p -87.25 18.73 3.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.402 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -170.88 72.98 0.55 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -12.94 21.47 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.478 1.778 . . . . 0.0 111.007 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -91.72 18.81 7.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.282 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.573 ' HA ' ' CD2' ' A' ' 85' ' ' HIS . 1.0 OUTLIER -137.12 -47.75 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.103 . . . . 0.0 109.341 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -102.35 119.67 39.21 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.84 103.17 8.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 110.255 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.466 ' CG1' HG13 ' A' ' 55' ' ' VAL . 2.9 t -100.2 124.44 53.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.512 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -163.67 133.9 3.28 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 109.308 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 66' ' ' LYS . 18.3 Cg_endo -74.99 133.76 32.89 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 120.967 -2.514 . . . . 0.0 111.016 -0.002 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.429 ' N ' ' HA ' ' A' ' 66' ' ' LYS . 82.9 p -112.57 43.85 1.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.962 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.4 p30 164.89 69.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.409 ' O ' ' O ' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -151.48 -165.0 2.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.988 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.458 ' CB ' ' HA ' ' A' ' 52' ' ' ALA . 5.5 m -138.82 172.34 13.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.031 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 35.0 t -133.17 116.21 15.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 108.277 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -55.47 162.7 2.19 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 109.285 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 136.52 20.52 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.494 1.786 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.43 16.56 73.43 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -131.15 -178.95 5.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 109.335 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.7 p -145.28 136.89 25.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 110.032 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.574 HG23 ' CE2' ' A' ' 53' ' ' PHE . 1.5 tt -106.19 159.87 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.436 ' C ' HD13 ' A' ' 80' ' ' ILE . 32.7 m-20 -131.73 118.2 19.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.263 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.599 ' CD1' ' N ' ' A' ' 80' ' ' ILE . 1.2 mp -105.4 118.9 53.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.257 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.47 HD11 ' CD2' ' A' ' 40' ' ' LEU . 2.0 mp -82.37 145.97 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.579 HG12 ' CZ ' ' A' ' 96' ' ' PHE . 47.0 t -140.53 98.27 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.16 134.91 24.1 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.004 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 167.01 27.97 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.51 1.795 . . . . 0.0 111.008 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.573 ' CD2' ' HA ' ' A' ' 62' ' ' LYS . 1.2 m-70 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.657 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.42 ' OG1' ' N ' ' A' ' 90' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.42 ' N ' ' OG1' ' A' ' 89' ' ' THR . 7.5 p -87.17 128.71 39.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.1 m -127.71 -176.91 3.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.041 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -95.21 37.18 1.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -110.67 -33.06 6.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.335 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.03 154.21 18.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.291 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.449 ' HG3' ' N ' ' A' ' 96' ' ' PHE . 0.0 OUTLIER -127.37 142.21 51.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.315 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.579 ' CZ ' HG12 ' A' ' 82' ' ' VAL . 55.5 m-85 -105.48 153.98 20.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -134.39 145.56 49.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.481 HD11 ' CD1' ' A' ' 41' ' ' ILE . 3.6 mt -136.83 126.88 39.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.305 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.582 ' HE2' ' CH2' ' A' ' 118' ' ' TRP . 16.4 mtm -107.3 155.24 20.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.041 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -162.63 119.08 1.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.569 ' HB2' ' CB ' ' A' ' 126' ' ' VAL . . . -133.75 136.15 44.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.509 ' OE1' ' N ' ' A' ' 103' ' ' MET . 0.7 OUTLIER -70.83 124.22 23.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.289 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.571 ' HG2' ' CZ ' ' A' ' 117' ' ' PHE . 0.0 OUTLIER -94.71 171.96 8.47 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.134 . . . . 0.0 111.001 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -61.85 -157.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -74.85 -99.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 110.303 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.2 m -87.53 106.54 18.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.987 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.6 m -143.51 132.63 23.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.966 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -65.38 144.97 48.28 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 30.7 p -94.7 28.3 2.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 0.778 . . . . 0.0 110.415 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -71.87 -179.83 33.31 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.453 1.096 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -12.89 21.62 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.492 1.785 . . . . 0.0 111.04 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -91.72 -70.86 0.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.259 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 112' ' ' ALA . 2.9 mm-40 -38.43 -46.47 1.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.334 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 117' ' ' PHE . 82.4 mt -60.55 -62.99 1.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 109.293 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.467 ' O ' ' CG ' ' A' ' 119' ' ' LYS . 0.6 OUTLIER -44.75 -39.95 5.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 110.013 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.534 ' HA ' ' CG ' ' A' ' 119' ' ' LYS . 1.8 mt-30 -68.04 -35.6 78.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.571 ' CZ ' ' HG2' ' A' ' 103' ' ' MET . 20.5 t80 -82.53 -23.93 34.32 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.115 . . . . 0.0 111.034 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . 0.582 ' CH2' ' HE2' ' A' ' 99' ' ' MET . 63.3 m95 -85.86 -29.01 24.05 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.534 ' CG ' ' HA ' ' A' ' 116' ' ' GLN . 0.0 OUTLIER -82.5 -16.88 47.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 0.0 109.309 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -100.28 -44.22 6.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.562 ' CG1' ' O ' ' A' ' 117' ' ' PHE . 7.1 p -69.6 120.04 74.81 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.527 ' HG2' ' CG ' ' A' ' 125' ' ' LYS . 18.3 Cg_endo -74.98 167.22 27.53 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.464 ' HA ' ' CG1' ' A' ' 126' ' ' VAL . 0.0 OUTLIER -76.97 1.16 18.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.342 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -102.63 -10.03 19.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.527 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 33.3 mmtt -107.01 -29.68 9.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.569 ' CB ' ' HB2' ' A' ' 101' ' ' ALA . 8.9 p -87.76 136.48 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' MET . . . . . 0.436 ' HG2' ' N ' ' A' ' 128' ' ' GLU . 62.4 ttp -81.11 152.21 27.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.436 ' N ' ' HG2' ' A' ' 127' ' ' MET . 49.8 mt-10 -134.09 131.12 38.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . 0.598 ' CD2' HG21 ' A' ' 21' ' ' ILE . 58.1 t60 -132.54 117.13 17.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.613 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -96.41 124.2 40.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.469 HD23 ' CD2' ' A' ' 129' ' ' HIS . 0.2 OUTLIER -92.74 155.3 17.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.522 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -126.49 144.45 50.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 13.2 t -90.2 129.03 36.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 108.269 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.589 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.9 m . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -133.31 145.76 33.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.501 ' CD1' ' CE1' ' A' ' 129' ' ' HIS . 75.4 t80 -73.47 98.02 2.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 111.051 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.574 ' HA ' ' CG ' ' A' ' 20' ' ' HIS . 0.1 OUTLIER -67.85 62.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 14' ' ' PHE . . . -43.83 162.61 0.05 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.538 1.149 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -18.58 18.64 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.471 1.774 . . . . 0.0 110.962 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.428 ' O ' ' CG2' ' A' ' 46' ' ' VAL . 0.3 OUTLIER -127.8 -63.43 1.02 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.561 ' HB2' ' CG1' ' A' ' 51' ' ' VAL . 0.9 OUTLIER -113.95 128.22 56.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.574 ' CG ' ' HA ' ' A' ' 15' ' ' LYS . 31.6 m170 -85.43 130.56 34.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.57 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.565 HD11 ' CG2' ' A' ' 98' ' ' ILE . 2.3 mt -102.48 147.57 8.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.137 . . . . 0.0 109.364 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.447 ' HA ' ' C ' ' A' ' 23' ' ' PRO . 0.9 OUTLIER -146.69 128.08 7.35 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.001 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.447 ' C ' ' HA ' ' A' ' 22' ' ' SER . 18.2 Cg_endo -74.99 -178.16 22.64 Favored 'Cis proline' 0 C--N 1.36 1.182 0 C-N-CA 120.963 -2.516 . . . . 0.0 110.977 -0.008 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.45 ' O ' ' NE2' ' A' ' 129' ' ' HIS . . . -64.21 -75.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.488 ' HA ' ' CD2' ' A' ' 131' ' ' LEU . 3.6 pt-20 -146.55 61.07 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.308 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.445 ' CG ' ' C ' ' A' ' 25' ' ' GLU . 8.1 mt-10 -154.2 102.43 2.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.564 ' HB3' ' CE2' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -104.15 110.42 22.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -96.49 93.42 6.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 111.003 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' A' ' 27' ' ' LEU . 88.1 m-85 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 111.038 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.4 mttt . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.69 139.94 49.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 109.316 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.487 ' CG2' ' HB ' ' A' ' 82' ' ' VAL . 10.1 t -100.96 157.92 16.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.405 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.494 HD13 ' N ' ' A' ' 41' ' ' ILE . 3.4 tp -132.08 119.62 21.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.264 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.494 ' N ' HD13 ' A' ' 40' ' ' LEU . 30.6 mt -89.24 161.84 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.449 ' N ' ' CG2' ' A' ' 41' ' ' ILE . 2.1 t -135.6 131.81 51.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.507 ' CD2' HD12 ' A' ' 19' ' ' LEU . 42.1 mt -112.76 107.08 15.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.3 m -92.32 110.94 22.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.457 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' A' ' 73' ' ' ASP . 33.1 t-20 -76.43 97.87 4.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.525 HG13 ' CG ' ' A' ' 20' ' ' HIS . 33.8 m -80.5 -26.8 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.407 ' OG1' ' OD1' ' A' ' 45' ' ' ASN . 2.0 p -68.92 163.17 25.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.381 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.9 tptt -92.25 29.77 1.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 56.7 m-80 -155.23 157.32 37.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.443 HG22 ' N ' ' A' ' 51' ' ' VAL . 15.4 mt -58.47 146.36 8.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.352 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.561 ' CG1' ' HB2' ' A' ' 19' ' ' LEU . 73.0 t -120.96 106.11 17.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.546 ' O ' ' CZ2' ' A' ' 118' ' ' TRP . . . -72.57 104.74 3.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.584 ' CE2' HD11 ' A' ' 80' ' ' ILE . 43.0 p90 -104.54 162.72 13.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.983 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.56 ' HE3' ' CD1' ' A' ' 118' ' ' TRP . 13.5 mttm -150.86 133.29 15.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 65.2 t -96.53 123.12 48.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.402 ' O ' ' N ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -133.98 131.72 39.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.255 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.7 t -128.92 169.51 14.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.403 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 23.9 p -89.55 24.05 2.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.426 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.437 ' CB ' ' HD3' ' A' ' 62' ' ' LYS . . . -173.52 73.99 0.38 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -3.13 13.47 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.507 1.793 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -107.98 22.36 16.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.291 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.437 ' HD3' ' CB ' ' A' ' 59' ' ' ALA . 1.4 mtpm? -137.94 -46.48 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.62 ' CE2' ' CG ' ' A' ' 94' ' ' ASP . 27.2 m-85 -104.05 136.38 43.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -97.53 116.47 29.79 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.452 1.095 . . . . 0.0 110.261 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 0.7 OUTLIER -117.59 116.32 51.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.341 179.929 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.453 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.0 OUTLIER -150.27 126.55 5.16 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.453 ' C ' ' HA ' ' A' ' 66' ' ' LYS . 18.2 Cg_endo -75.02 157.12 99.8 Favored 'Cis proline' 0 C--N 1.359 1.113 0 C-N-CA 121.013 -2.495 . . . . 0.0 110.976 0.05 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.444 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 54.3 p -113.19 -24.27 9.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.946 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -135.7 97.15 3.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.538 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 5.7 t -162.4 -179.56 7.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.983 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.5 t -129.57 154.77 46.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.022 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 44.5 t -115.19 133.72 55.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 108.275 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.532 ' OD2' ' CB ' ' A' ' 76' ' ' ALA . 0.4 OUTLIER -72.27 162.81 71.83 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.403 ' O ' ' OD1' ' A' ' 73' ' ' ASP . 18.4 Cg_endo -75.02 135.7 19.37 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.501 1.79 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.82 13.96 83.06 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.545 1.153 . . . . 0.0 110.968 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.532 ' CB ' ' OD2' ' A' ' 73' ' ' ASP . . . -123.85 -178.98 4.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.0 p -144.43 138.18 27.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.987 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.457 ' CG2' ' HB2' ' A' ' 43' ' ' LEU . 0.9 OUTLIER -104.44 170.22 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -131.05 122.59 27.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.584 HD11 ' CE2' ' A' ' 53' ' ' PHE . 5.2 mm -116.71 97.32 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.248 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.1 mp -73.84 120.23 22.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.642 ' CG1' ' CZ ' ' A' ' 96' ' ' PHE . 61.8 t -111.62 97.33 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.585 1.178 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.29 126.79 28.2 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 110.014 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 85' ' ' HIS . 18.3 Cg_endo -75.02 179.7 5.84 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.524 1.802 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.402 ' O ' ' O ' ' A' ' 84' ' ' PRO . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.603 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.449 ' OG1' ' N ' ' A' ' 90' ' ' VAL . 2.1 t . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.441 -0.207 . . . . 0.0 110.441 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.451 ' CG2' ' SG ' ' A' ' 133' ' ' CYS . 3.5 m -100.91 -2.12 9.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 90' ' ' VAL . 2.2 m 38.41 -149.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.981 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -135.43 24.35 3.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -111.26 -28.4 8.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.62 ' CG ' ' CE2' ' A' ' 63' ' ' TYR . 0.6 OUTLIER -68.26 147.11 52.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.6 tpp180 -135.06 142.28 46.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.079 . . . . 0.0 110.326 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.642 ' CZ ' ' CG1' ' A' ' 82' ' ' VAL . 20.3 m-85 -109.68 112.8 25.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 56' ' ' ARG . 18.7 tp -100.05 137.87 37.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.565 ' CG2' HD11 ' A' ' 21' ' ' ILE . 3.9 mt -132.39 118.52 35.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.592 ' CE ' ' CZ3' ' A' ' 118' ' ' TRP . 30.7 mtm -89.86 161.05 16.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 0.0 111.03 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -163.82 117.27 1.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.523 ' HB3' ' CB ' ' A' ' 126' ' ' VAL . . . -126.88 133.18 50.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.41 111.18 5.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.586 ' HG2' ' CZ ' ' A' ' 117' ' ' PHE . 0.0 OUTLIER -85.66 171.71 11.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 111.009 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -70.46 -142.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 110.353 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -75.59 -156.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 10.8 m -55.24 110.96 0.76 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.028 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.411 ' CB ' ' HE3' ' A' ' 103' ' ' MET . 0.6 OUTLIER -111.81 157.97 19.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 110.011 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 109' ' ' THR . . . -58.48 -16.36 28.53 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.56 1.163 . . . . 0.0 111.031 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 108' ' ' GLY . 40.4 p 36.98 50.99 0.94 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 0.777 . . . . 0.0 110.391 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -115.48 -169.89 15.94 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.488 1.118 . . . . 0.0 111.021 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -16.37 20.05 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.529 1.805 . . . . 0.0 110.998 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -92.0 -72.88 0.57 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -38.64 -45.03 1.04 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.422 ' C ' ' N ' ' A' ' 116' ' ' GLN . 95.1 mt -62.24 -65.02 0.75 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -38.03 -32.59 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 110.065 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.422 ' N ' ' C ' ' A' ' 114' ' ' LEU . 5.0 mm-40 -76.86 -56.79 4.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.586 ' CZ ' ' HG2' ' A' ' 103' ' ' MET . 38.8 t80 -54.8 -35.3 63.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . 0.592 ' CZ3' ' CE ' ' A' ' 99' ' ' MET . 70.5 m95 -72.98 -17.05 61.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 108.024 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.34 -23.09 19.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.421 ' CG ' ' N ' ' A' ' 121' ' ' VAL . 1.0 OUTLIER -95.6 -43.54 7.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 110.309 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.512 ' CG1' ' O ' ' A' ' 117' ' ' PHE . 9.1 p -71.17 118.57 67.03 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.509 ' HG2' ' CG ' ' A' ' 125' ' ' LYS . 18.4 Cg_endo -74.94 168.87 23.87 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.493 1.786 . . . . 0.0 111.034 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.488 ' HA ' ' CG1' ' A' ' 126' ' ' VAL . 0.0 OUTLIER -76.8 1.51 17.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.288 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -102.13 -12.35 18.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.509 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 27.1 mmtt -104.67 -30.4 9.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.523 ' CB ' ' HB3' ' A' ' 101' ' ' ALA . 8.0 p -87.16 132.62 32.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 17.4 tmm? -79.63 140.31 37.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -122.19 121.98 38.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . 0.501 ' CE1' ' CD1' ' A' ' 14' ' ' PHE . 43.4 t60 -121.43 133.48 55.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.636 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 2.6 mpp_? -108.77 133.94 52.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.488 ' CD2' ' HA ' ' A' ' 25' ' ' GLU . 0.7 OUTLIER -106.34 162.41 13.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.247 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.472 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 0.7 OUTLIER -130.46 152.57 49.7 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 110.261 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' CYS . . . . . 0.451 ' SG ' ' CG2' ' A' ' 90' ' ' VAL . 6.3 t -85.66 126.32 33.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.133 . . . . 0.0 108.295 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.604 179.984 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 43.1 t -131.77 126.96 58.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -73.99 95.45 2.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.582 ' HD3' ' CE1' ' A' ' 20' ' ' HIS . 2.5 mmtp -66.71 82.91 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.633 ' N ' ' CD2' ' A' ' 20' ' ' HIS . . . -70.36 163.84 52.72 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.407 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.4 Cg_endo -75.02 -17.22 19.67 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.53 1.805 . . . . 0.0 110.977 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 mt -125.36 -76.47 0.59 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.579 ' CD1' ' HB3' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -111.94 123.87 51.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.256 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.633 ' CD2' ' N ' ' A' ' 16' ' ' GLY . 40.0 m170 -74.95 159.01 32.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.645 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.447 ' CD1' ' CG2' ' A' ' 98' ' ' ILE . 1.2 mm -120.38 131.46 72.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 t -136.93 119.31 11.5 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.954 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.405 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 18.2 Cg_endo -75.0 -161.56 2.52 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 120.982 -2.508 . . . . 0.0 111.026 -0.058 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.75 -96.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.465 ' O ' ' CG ' ' A' ' 132' ' ' ARG . 4.4 mt-10 -124.16 62.64 1.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.405 ' O ' ' HG2' ' A' ' 23' ' ' PRO . 0.0 OUTLIER -162.44 102.72 1.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.297 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.433 ' CD2' HG21 ' A' ' 39' ' ' THR . 2.7 tp -100.11 124.45 45.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.152 . . . . 0.0 109.335 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -118.97 95.93 5.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.498 ' CZ ' HG21 ' A' ' 39' ' ' THR . 37.1 m-85 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 111.034 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.3 mtpt . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.431 ' CB ' ' HB2' ' A' ' 83' ' ' SER . 0.0 OUTLIER -115.67 145.63 42.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.498 HG21 ' CZ ' ' A' ' 29' ' ' PHE . 10.0 t -103.96 136.42 43.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 110.418 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.455 HD12 ' N ' ' A' ' 41' ' ' ILE . 0.4 OUTLIER -112.59 117.75 33.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.47 HD11 ' CD1' ' A' ' 98' ' ' ILE . 16.7 mt -93.3 146.41 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.412 ' CG1' ' O ' ' A' ' 78' ' ' ILE . 1.8 t -131.74 140.17 48.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.604 ' CD2' ' CG2' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -123.49 147.24 47.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.402 ' C ' HD12 ' A' ' 19' ' ' LEU . 9.7 m -116.97 110.77 18.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.434 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.428 ' ND2' ' O ' ' A' ' 72' ' ' CYS . 45.6 t-20 -75.16 86.01 2.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.462 HG11 ' CE1' ' A' ' 20' ' ' HIS . 17.0 m -71.0 -28.61 33.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.8 p -66.16 158.41 28.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.375 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.36 28.11 3.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -148.68 143.91 26.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.428 HG21 ' N ' ' A' ' 51' ' ' VAL . 16.0 mt -44.99 145.51 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.495 HG13 ' CD2' ' A' ' 19' ' ' LEU . 94.9 t -128.3 122.9 58.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.522 ' O ' ' CZ2' ' A' ' 118' ' ' TRP . . . -90.02 109.53 20.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.575 ' CE2' HD11 ' A' ' 80' ' ' ILE . 51.9 p90 -102.9 160.68 14.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 111.035 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.579 ' HE3' ' CD1' ' A' ' 118' ' ' TRP . 29.8 mttm -152.29 131.08 12.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.471 ' CG1' HG12 ' A' ' 65' ' ' VAL . 46.3 t -102.03 137.62 29.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.1 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.441 ' CG ' ' HB3' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -145.62 166.41 25.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.349 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.427 ' OG1' ' N ' ' A' ' 58' ' ' THR . 0.4 OUTLIER -160.76 170.93 19.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.393 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.427 ' N ' ' OG1' ' A' ' 57' ' ' THR . 54.4 p -81.11 5.76 15.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.375 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.432 ' CB ' ' HD3' ' A' ' 62' ' ' LYS . . . -155.76 74.8 5.12 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -21.41 15.89 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.495 1.787 . . . . 0.0 110.959 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -90.27 29.07 1.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.102 . . . . 0.0 110.33 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.432 ' HD3' ' CB ' ' A' ' 59' ' ' ALA . 1.8 mtpm? -141.27 -46.32 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -105.82 122.81 46.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 111.035 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -88.96 107.13 18.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.502 ' CG1' HG23 ' A' ' 82' ' ' VAL . 3.3 t -102.31 137.2 31.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.5 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.0 OUTLIER -163.3 132.35 2.99 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 66' ' ' LYS . 18.2 Cg_endo -75.05 142.31 74.31 Favored 'Cis proline' 0 C--N 1.36 1.184 0 C-N-CA 120.967 -2.514 . . . . 0.0 110.993 0.042 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.428 ' HB3' ' O ' ' A' ' 65' ' ' VAL . 6.9 p -113.36 26.58 10.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.968 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 176.33 82.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.3 -179.64 7.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 109.986 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 97.6 p -126.6 160.98 29.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.01 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.428 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 27.6 t -120.86 139.97 52.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 108.301 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -72.39 160.09 83.69 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 125.25 9.24 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.525 1.803 . . . . 0.0 111.021 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.47 34.47 16.54 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.423 1.077 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -143.23 178.22 7.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 0.733 . . . . 0.0 109.327 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.8 p -136.77 134.43 37.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.005 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.604 ' CG2' ' CD2' ' A' ' 43' ' ' LEU . 1.2 tt -105.04 169.79 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -130.43 129.83 43.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.575 HD11 ' CE2' ' A' ' 53' ' ' PHE . 1.3 mm -122.96 103.03 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.2 mp -74.82 145.94 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.502 HG23 ' CG1' ' A' ' 65' ' ' VAL . 5.2 t -140.21 105.21 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.431 ' HB2' ' CB ' ' A' ' 38' ' ' LYS . 23.2 t -127.35 143.82 48.59 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.982 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 176.66 9.62 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.57 1.826 . . . . 0.0 110.965 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.555 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.446 ' OG1' ' N ' ' A' ' 90' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.446 ' N ' ' OG1' ' A' ' 89' ' ' THR . 94.3 t -75.4 115.21 16.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.94 -161.33 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.002 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -117.03 -45.69 2.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 109.266 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -68.74 -9.57 51.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.291 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.2 p30 -68.01 118.06 10.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.425 ' HG3' ' N ' ' A' ' 96' ' ' PHE . 5.4 tpp180 -117.87 144.8 45.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.318 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.441 ' CZ ' ' CG1' ' A' ' 82' ' ' VAL . 24.0 m-85 -110.94 154.07 24.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 111.044 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.441 ' HB3' ' CG ' ' A' ' 56' ' ' ARG . 19.1 tp -137.69 138.21 39.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.47 ' CD1' HD11 ' A' ' 41' ' ' ILE . 3.3 mt -128.5 118.92 48.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.617 ' CE ' ' CZ3' ' A' ' 118' ' ' TRP . 20.7 mtm -96.98 157.11 16.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 110.98 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -162.2 117.59 1.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 0.0 109.276 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.492 ' HB2' ' CB ' ' A' ' 126' ' ' VAL . . . -126.82 135.93 51.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -74.84 122.51 23.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.545 ' HG2' ' CE1' ' A' ' 117' ' ' PHE . 17.7 mtp -92.54 170.8 9.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.962 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -73.25 -145.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -85.62 -80.21 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.357 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.4 m -70.69 117.31 12.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.008 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 18.9 m -141.98 118.96 11.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 110.02 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -66.15 -15.29 62.84 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.452 1.095 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 46.2 p 40.83 52.07 3.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 110.408 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -120.86 -169.0 13.71 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.431 1.082 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -17.86 19.33 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.541 1.811 . . . . 0.0 111.006 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -91.74 -72.41 0.59 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 112' ' ' ALA . 3.1 mm-40 -38.15 -45.9 0.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 110.259 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 76.5 mt -61.43 -65.4 0.7 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -38.47 -38.93 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.991 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -74.82 -53.44 9.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.545 ' CE1' ' HG2' ' A' ' 103' ' ' MET . 89.8 t80 -56.23 -35.8 67.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 110.95 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . 0.617 ' CZ3' ' CE ' ' A' ' 99' ' ' MET . 68.7 m95 -73.64 -16.98 61.21 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.39 -22.74 18.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -95.1 -40.81 9.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.505 ' CG1' ' O ' ' A' ' 117' ' ' PHE . 7.6 p -73.23 118.93 72.84 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.496 ' HG2' ' CG ' ' A' ' 125' ' ' LYS . 18.4 Cg_endo -74.96 170.21 20.91 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.459 1.768 . . . . 0.0 111.033 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.527 ' C ' ' CD ' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -77.45 1.01 20.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.276 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . 0.486 ' N ' ' HD2' ' A' ' 123' ' ' ARG . 38.8 t30 -99.91 -17.43 17.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.496 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 25.5 mmtt -100.37 -28.78 12.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.586 HG22 ' CZ3' ' A' ' 118' ' ' TRP . 12.2 p -93.3 136.86 23.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' MET . . . . . 0.463 ' CE ' ' O ' ' A' ' 19' ' ' LEU . 64.4 ttp -81.37 154.76 26.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.972 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.436 ' N ' ' HG2' ' A' ' 127' ' ' MET . 27.8 mt-10 -141.06 117.17 10.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . 0.43 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 55.7 t60 -120.72 124.97 46.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.619 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 96' ' ' PHE . 3.6 mpp_? -97.85 123.25 41.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 96' ' ' PHE . 0.3 OUTLIER -94.72 157.81 15.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.465 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 0.2 OUTLIER -123.34 149.01 45.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.27 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 90.0 m -94.21 123.13 37.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 108.29 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.587 179.999 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 71.3 t -136.05 127.4 43.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.752 ' CG ' ' CE1' ' A' ' 129' ' ' HIS . 68.0 t80 -73.86 95.46 2.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 111.024 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.581 ' HD3' ' CE1' ' A' ' 20' ' ' HIS . 23.3 mmtp -65.41 114.23 4.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.489 ' H ' ' CD2' ' A' ' 20' ' ' HIS . . . -99.06 160.25 20.06 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.492 1.12 . . . . 0.0 110.965 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.427 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.3 Cg_endo -75.09 -14.85 20.82 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.473 1.775 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.484 ' HA ' ' CG2' ' A' ' 47' ' ' THR . 2.8 mt -125.94 -75.79 0.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.449 ' CD1' ' HB3' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -108.01 139.14 43.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.1 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.581 ' CE1' ' HD3' ' A' ' 15' ' ' LYS . 17.1 m170 -86.88 156.89 19.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.568 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.493 HD12 ' CG2' ' A' ' 98' ' ' ILE . 2.9 mm -124.58 144.61 33.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.437 ' HA ' ' C ' ' A' ' 23' ' ' PRO . 6.7 t -155.41 127.35 3.85 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.022 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.437 ' C ' ' HA ' ' A' ' 22' ' ' SER . 18.2 Cg_endo -75.01 -176.69 18.6 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 120.953 -2.52 . . . . 0.0 110.994 -0.011 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.93 -93.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -132.7 60.57 1.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 110.283 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' A' ' 23' ' ' PRO . 2.2 pt-20 -163.11 103.8 0.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.8 mt -99.5 142.95 30.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.452 ' CE1' ' HB3' ' A' ' 134' ' ' HIS . 2.1 m-85 -132.56 97.84 4.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 179.989 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.5 mtmt . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.484 ' HG2' ' N ' ' A' ' 39' ' ' THR . 0.3 OUTLIER -130.25 141.14 50.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.355 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.484 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 9.2 t -108.92 144.81 36.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.386 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.531 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -118.52 117.1 28.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.451 ' N ' ' CD1' ' A' ' 40' ' ' LEU . 72.4 mt -91.3 135.34 27.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.6 t -107.57 142.07 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.482 ' HA ' ' O ' ' A' ' 20' ' ' HIS . 18.4 mt -127.37 106.48 9.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.414 ' C ' HD12 ' A' ' 19' ' ' LEU . 1.0 OUTLIER -97.99 108.04 20.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.393 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 29.5 t30 -76.24 113.35 13.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.482 HG12 ' CD2' ' A' ' 20' ' ' HIS . 22.3 m -89.45 -30.47 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.484 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 1.0 OUTLIER -65.02 151.54 45.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.403 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.3 28.89 1.79 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.505 ' HB2' ' CD ' ' A' ' 102' ' ' GLU . 83.2 m-20 -144.25 137.48 27.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.426 HG23 ' N ' ' A' ' 51' ' ' VAL . 10.0 mt -42.01 137.88 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.085 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.426 ' N ' HG23 ' A' ' 50' ' ' ILE . 53.3 t -130.71 125.3 58.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.583 ' HB3' ' CE2' ' A' ' 117' ' ' PHE . . . -87.19 128.63 35.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.593 ' CE1' HD13 ' A' ' 80' ' ' ILE . 38.7 p90 -118.06 158.8 24.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.539 ' HD2' ' CD2' ' A' ' 118' ' ' TRP . 8.2 mttm -150.27 148.59 29.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 91.9 t -115.8 111.5 35.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 44.9 mtt-85 -108.13 169.92 8.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.307 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.4 t -172.35 166.74 5.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.425 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 40.2 p -86.61 14.54 6.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 110.366 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -162.76 74.52 2.05 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -7.64 19.37 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.492 1.785 . . . . 0.0 110.976 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -109.14 32.61 4.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 110.289 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.569 ' HA ' ' CD2' ' A' ' 85' ' ' HIS . 24.5 mtpt -144.56 -46.14 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -101.36 122.29 43.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -79.44 97.63 6.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 110.345 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.484 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 0.6 OUTLIER -101.14 116.4 44.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.509 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.4 OUTLIER -156.92 132.73 5.83 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 66' ' ' LYS . 18.4 Cg_endo -75.01 147.4 89.19 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 121.049 -2.479 . . . . 0.0 110.973 0.068 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.482 ' CB ' HG23 ' A' ' 65' ' ' VAL . 1.9 p -112.99 -0.15 14.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 110.038 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.405 ' O ' ' HB2' ' A' ' 70' ' ' SER . 5.2 p30 -155.0 113.0 3.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 69' ' ' ASN . 0.1 OUTLIER 172.32 -165.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.998 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.462 ' HB3' ' CG2' ' A' ' 109' ' ' THR . 0.0 OUTLIER -138.93 160.54 39.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.017 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 28.1 t -121.59 116.93 25.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 108.289 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -46.92 160.47 0.33 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 121.52 6.63 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.455 1.766 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.11 41.3 8.11 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.431 1.082 . . . . 0.0 111.037 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -142.9 179.72 6.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 0.758 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.4 p -139.13 132.38 29.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.008 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.457 ' CG2' ' HB2' ' A' ' 43' ' ' LEU . 0.9 OUTLIER -104.94 171.82 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.442 ' CA ' HD11 ' A' ' 40' ' ' LEU . 69.3 m-20 -131.49 122.13 25.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.593 HD13 ' CE1' ' A' ' 53' ' ' PHE . 3.2 mm -116.56 104.44 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.444 ' CG2' ' HD2' ' A' ' 38' ' ' LYS . 2.6 mp -76.9 145.75 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.578 HG12 ' CZ ' ' A' ' 96' ' ' PHE . 95.6 t -139.85 99.44 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.7 t -120.85 130.92 24.63 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.03 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 168.54 24.6 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.569 ' CD2' ' HA ' ' A' ' 62' ' ' LYS . 2.7 m-70 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 109.618 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.423 ' OG1' ' N ' ' A' ' 90' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.392 -0.225 . . . . 0.0 110.392 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.423 ' N ' ' OG1' ' A' ' 89' ' ' THR . 39.2 t -98.17 106.1 18.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.128 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.1 m -106.79 168.74 8.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.965 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -92.24 35.85 1.0 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.108 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -108.92 -24.91 11.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.12 . . . . 0.0 110.268 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -84.85 162.58 19.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.18 152.31 37.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.578 ' CZ ' HG12 ' A' ' 82' ' ' VAL . 48.5 m-85 -117.82 152.54 35.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -137.22 103.79 5.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.493 ' CG2' HD12 ' A' ' 21' ' ' ILE . 3.7 mt -92.09 132.2 37.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.608 ' HE3' ' CZ3' ' A' ' 118' ' ' TRP . 27.4 mtm -111.42 155.03 23.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.401 ' HB2' ' CB ' ' A' ' 19' ' ' LEU . . . -158.73 117.15 2.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.337 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.42 ' HB3' ' HB ' ' A' ' 126' ' ' VAL . . . -129.69 139.65 51.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.505 ' CD ' ' HB2' ' A' ' 49' ' ' ASN . 0.7 OUTLIER -69.73 127.36 32.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 110.281 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.615 ' CG ' ' CZ ' ' A' ' 117' ' ' PHE . 16.6 mtp -96.64 171.94 8.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 111.028 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 103' ' ' MET . 3.2 mt-10 -60.57 -135.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.298 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.87 -81.57 0.49 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 110.274 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.5 m -94.46 104.22 16.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.031 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.49 145.14 36.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.023 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -87.88 140.16 16.27 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.556 1.16 . . . . 0.0 110.986 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.516 ' HA ' ' CD2' ' A' ' 114' ' ' LEU . 19.4 p -93.53 60.09 3.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 0.772 . . . . 0.0 110.411 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.532 ' O ' ' CD2' ' A' ' 114' ' ' LEU . . . -103.34 -174.3 26.18 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -18.83 18.43 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.516 1.798 . . . . 0.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.466 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -92.67 -72.58 0.59 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' A' ' 112' ' ' ALA . 4.7 mm-40 -34.0 -40.47 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 110.326 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.532 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 4.4 mm? -66.48 -69.83 0.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.6 t -43.17 -44.46 5.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.966 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.485 ' HA ' ' CG ' ' A' ' 119' ' ' LYS . 1.4 mt-30 -63.56 -35.13 79.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.615 ' CZ ' ' CG ' ' A' ' 103' ' ' MET . 84.1 t80 -85.62 -20.92 28.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . 0.608 ' CZ3' ' HE3' ' A' ' 99' ' ' MET . 63.1 m95 -89.06 -27.72 20.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 108.008 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.485 ' CG ' ' HA ' ' A' ' 116' ' ' GLN . 0.0 OUTLIER -80.49 -20.87 42.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -95.67 -45.68 6.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.285 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.519 ' CG1' ' O ' ' A' ' 117' ' ' PHE . 6.9 p -69.69 121.23 81.81 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.527 ' HG2' ' CG ' ' A' ' 125' ' ' LYS . 18.3 Cg_endo -74.99 166.78 28.49 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.518 1.799 . . . . 0.0 110.969 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.483 ' HA ' ' CG1' ' A' ' 126' ' ' VAL . 0.0 OUTLIER -76.79 1.59 16.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -102.29 -9.63 20.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.527 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 29.5 mmtt -106.99 -22.68 12.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.566 HG23 ' CH2' ' A' ' 118' ' ' TRP . 7.6 p -97.29 144.66 10.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' MET . . . . . 0.427 ' SD ' ' HD2' ' A' ' 17' ' ' PRO . 34.1 ttp -85.03 119.37 25.35 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.142 . . . . 0.0 111.053 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -101.12 122.27 43.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 110.288 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . 0.752 ' CE1' ' CG ' ' A' ' 14' ' ' PHE . 36.9 t60 -127.96 119.55 25.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.568 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.88 138.86 31.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.328 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.489 ' CD1' ' CD1' ' A' ' 98' ' ' ILE . 0.3 OUTLIER -118.92 145.79 45.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 109.362 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -113.57 160.83 18.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 77.5 m -111.46 125.13 53.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 108.317 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . 0.452 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.568 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.0 p . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.0 t -136.92 120.37 22.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.459 ' CD2' ' ND1' ' A' ' 129' ' ' HIS . 34.8 t80 -73.37 95.1 2.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.978 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.46 ' HD3' ' ND1' ' A' ' 20' ' ' HIS . 22.2 mmtp -62.29 106.82 0.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.481 ' H ' ' CD2' ' A' ' 20' ' ' HIS . . . -92.96 159.6 24.61 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.554 1.159 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.447 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.3 Cg_endo -74.98 -15.59 20.71 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.493 1.786 . . . . 0.0 111.02 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.448 ' HA ' ' CG2' ' A' ' 47' ' ' THR . 0.3 OUTLIER -127.24 -73.6 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.274 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -108.26 127.36 53.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.563 ' CD2' HG12 ' A' ' 46' ' ' VAL . 13.8 m170 -79.94 127.4 32.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.642 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.665 ' CG2' ' CD2' ' A' ' 129' ' ' HIS . 1.4 mm -95.53 143.79 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.47 ' HA ' ' C ' ' A' ' 23' ' ' PRO . 0.3 OUTLIER -152.05 131.0 6.52 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 109.975 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.536 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 18.4 Cg_endo -74.95 -161.13 2.38 Favored 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 121.052 -2.478 . . . . 0.0 111.04 -0.085 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.25 -107.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.441 ' HB2' ' CD ' ' A' ' 132' ' ' ARG . 0.9 OUTLIER -105.07 65.23 0.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.587 1.179 . . . . 0.0 110.263 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.536 ' O ' ' HG2' ' A' ' 23' ' ' PRO . 7.9 pt-20 -163.0 144.58 9.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.429 1.081 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.493 HD13 ' CD1' ' A' ' 131' ' ' LEU . 1.7 tp -147.87 122.3 9.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.458 ' CE1' ' HB3' ' A' ' 134' ' ' HIS . 2.8 m-85 -121.89 126.37 48.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.58 ' CZ ' HG22 ' A' ' 39' ' ' THR . 8.4 m-85 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.0 mttm . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.445 ' CB ' ' HB2' ' A' ' 83' ' ' SER . 0.3 OUTLIER -149.14 162.68 39.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.58 HG22 ' CZ ' ' A' ' 29' ' ' PHE . 3.9 t -118.49 161.32 20.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.403 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.51 ' CD1' ' C ' ' A' ' 80' ' ' ILE . 0.7 OUTLIER -132.25 117.09 17.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.47 ' N ' HD11 ' A' ' 40' ' ' LEU . 28.9 mt -90.76 136.02 25.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.8 t -112.76 136.39 49.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.469 ' HB3' ' CD1' ' A' ' 19' ' ' LEU . 37.4 mt -119.99 106.91 12.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.42 ' C ' HD13 ' A' ' 19' ' ' LEU . 1.4 m -96.15 109.0 21.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.421 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 -76.46 113.07 13.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.563 HG12 ' CD2' ' A' ' 20' ' ' HIS . 7.5 m -91.76 -40.38 12.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.448 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 1.3 p -52.37 156.8 1.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.368 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.89 29.16 2.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.416 ' O ' ' C ' ' A' ' 50' ' ' ILE . 9.5 m-80 -151.11 137.47 18.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.416 ' C ' ' O ' ' A' ' 49' ' ' ASN . 43.4 mt -38.96 147.09 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.453 ' CG2' ' HA ' ' A' ' 102' ' ' GLU . 41.0 t -138.54 125.31 26.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.59 ' HB3' ' CE2' ' A' ' 117' ' ' PHE . . . -82.12 137.11 35.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.588 ' CE1' HD13 ' A' ' 80' ' ' ILE . 17.9 p90 -126.62 162.48 25.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.998 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.573 ' HD2' ' CD1' ' A' ' 118' ' ' TRP . 24.7 mttt -155.15 156.12 35.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.467 ' CG1' HG11 ' A' ' 65' ' ' VAL . 21.7 t -137.39 121.47 22.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.519 ' CD ' ' HB3' ' A' ' 97' ' ' LEU . 5.0 ppt_? -136.36 172.9 12.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.403 ' OG1' ' N ' ' A' ' 58' ' ' THR . 0.1 OUTLIER -158.66 169.76 23.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.391 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.403 ' N ' ' OG1' ' A' ' 57' ' ' THR . 77.7 p -72.89 -2.69 21.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 110.411 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.441 ' CB ' ' HD3' ' A' ' 62' ' ' LYS . . . -148.98 75.73 9.76 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -14.97 20.88 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.525 1.803 . . . . 0.0 111.009 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.513 ' O ' ' CD2' ' A' ' 85' ' ' HIS . 15.2 pt-20 -93.03 15.72 14.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.499 ' HA ' ' CD2' ' A' ' 85' ' ' HIS . 4.8 mttp -128.03 -46.04 1.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.451 ' OH ' ' CB ' ' A' ' 94' ' ' ASP . 55.3 m-85 -102.12 116.11 31.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 111.027 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 83' ' ' SER . 2.5 tpt180 -81.01 99.59 8.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.484 ' CG1' HG23 ' A' ' 82' ' ' VAL . 2.6 t -97.95 131.77 44.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.499 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.4 OUTLIER -163.71 134.26 3.37 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 66' ' ' LYS . 18.3 Cg_endo -75.02 140.63 68.37 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 121.027 -2.489 . . . . 0.0 110.956 0.024 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.419 ' HB3' ' O ' ' A' ' 65' ' ' VAL . 11.7 p -111.92 40.87 2.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 110.01 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.419 ' O ' ' HB2' ' A' ' 70' ' ' SER . 6.4 p-10 167.51 108.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.58 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 21.4 t 172.09 -169.47 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 0.0 110.017 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.518 ' N ' ' OG ' ' A' ' 70' ' ' SER . 0.7 OUTLIER -137.45 154.01 49.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.004 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 52.5 t -114.48 117.42 30.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.455 1.097 . . . . 0.0 108.336 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.04 165.2 0.62 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 134.62 18.1 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.534 1.807 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.87 30.73 61.07 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.448 1.092 . . . . 0.0 111.054 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -134.44 -179.84 5.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 0.775 . . . . 0.0 109.266 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.0 p -145.03 133.41 21.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.019 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.445 ' CG2' ' HB2' ' A' ' 43' ' ' LEU . 0.9 OUTLIER -105.4 169.42 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.406 ' O ' ' HD2' ' A' ' 67' ' ' PRO . 2.0 m-20 -130.4 123.19 29.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.588 HD13 ' CE1' ' A' ' 53' ' ' PHE . 2.2 mm -120.72 108.31 22.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.469 HD13 ' CD1' ' A' ' 40' ' ' LEU . 2.4 mp -78.49 146.74 7.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.632 ' CG1' ' CZ ' ' A' ' 96' ' ' PHE . 7.3 t -140.62 101.98 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.445 ' HB2' ' CB ' ' A' ' 38' ' ' LYS . 47.7 t -126.69 146.87 58.62 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.973 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 177.1 9.02 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.501 1.79 . . . . 0.0 111.03 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.513 ' CD2' ' O ' ' A' ' 61' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.62 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.427 HG22 ' CG ' ' A' ' 29' ' ' PHE . 3.1 t -76.66 -12.94 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.3 m 52.1 177.01 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.43 1.081 . . . . 0.0 110.006 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -109.81 -5.15 15.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -91.77 -34.12 14.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 110.299 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.451 ' CB ' ' OH ' ' A' ' 63' ' ' TYR . 1.9 p-10 -46.7 145.11 2.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 109.253 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.8 mmm180 -146.75 134.54 21.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 110.295 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.632 ' CZ ' ' CG1' ' A' ' 82' ' ' VAL . 69.0 m-85 -105.07 155.22 19.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.519 ' HB3' ' CD ' ' A' ' 56' ' ' ARG . 3.2 tm? -136.07 138.66 42.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.534 ' CG2' ' CD1' ' A' ' 21' ' ' ILE . 5.1 mt -127.88 141.79 45.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.342 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 4.5 mtp -117.76 155.12 30.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.964 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -157.9 125.39 5.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.55 ' HB1' ' CE2' ' A' ' 117' ' ' PHE . . . -138.13 132.72 32.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.357 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.453 ' HA ' ' CG2' ' A' ' 51' ' ' VAL . 1.3 tt0 -68.72 116.54 9.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.297 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.571 ' HG2' ' CE1' ' A' ' 117' ' ' PHE . 21.8 mtp -88.67 172.56 9.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -91.01 -169.29 2.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.293 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -53.7 -81.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.286 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.66 128.14 35.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.009 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 10.7 m -167.26 109.28 0.65 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 110.011 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.407 ' O ' ' OG1' ' A' ' 109' ' ' THR . . . -81.01 -6.53 89.4 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.465 1.103 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.551 ' HA ' ' CD2' ' A' ' 114' ' ' LEU . 44.8 p 46.48 35.14 2.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 110.391 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.549 ' O ' HD23 ' A' ' 114' ' ' LEU . . . -86.12 -166.06 41.69 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -22.07 15.37 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.478 1.778 . . . . 0.0 111.04 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.484 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -93.11 -65.64 0.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.484 ' C ' ' O ' ' A' ' 112' ' ' ALA . 2.8 mm-40 -32.31 -40.41 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.304 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.551 ' CD2' ' HA ' ' A' ' 109' ' ' THR . 3.5 mm? -71.88 -69.03 0.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.6 -31.87 2.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.998 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.493 ' HA ' ' CG ' ' A' ' 119' ' ' LYS . 2.4 mt-30 -80.51 -31.56 37.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.59 ' CE2' ' HB3' ' A' ' 52' ' ' ALA . 82.9 t80 -83.84 -21.78 31.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . 0.573 ' CD1' ' HD2' ' A' ' 54' ' ' LYS . 63.4 m95 -87.21 -28.4 22.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 108.01 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.493 ' CG ' ' HA ' ' A' ' 116' ' ' GLN . 0.0 OUTLIER -81.3 -22.77 38.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.362 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.43 ' CG ' ' HD2' ' A' ' 119' ' ' LYS . 1.8 mt-10 -93.28 -44.99 8.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.538 ' CG1' ' O ' ' A' ' 117' ' ' PHE . 5.9 p -69.27 125.13 91.74 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.481 ' HG2' ' CG ' ' A' ' 125' ' ' LYS . 18.3 Cg_endo -74.95 154.47 42.75 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.502 1.791 . . . . 0.0 110.96 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.43 -32.69 62.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -63.02 -26.29 68.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.273 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.481 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 32.3 mmtt -101.16 7.47 43.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.477 ' CG2' HG12 ' A' ' 121' ' ' VAL . 75.1 t -112.48 123.83 68.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' MET . . . . . 0.447 ' SD ' ' HD2' ' A' ' 17' ' ' PRO . 16.6 ttp -90.52 101.69 14.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -86.11 124.58 32.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 110.353 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . 0.665 ' CD2' ' CG2' ' A' ' 21' ' ' ILE . 78.0 t60 -122.02 112.01 17.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.635 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.41 ' HA ' ' O ' ' A' ' 96' ' ' PHE . 0.1 OUTLIER -91.43 123.82 35.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.354 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.544 HD21 ' CD2' ' A' ' 129' ' ' HIS . 0.3 OUTLIER -92.52 144.06 25.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.337 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.441 ' CD ' ' HB2' ' A' ' 25' ' ' GLU . 4.8 ptp180 -123.19 142.07 51.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 9.7 t -78.54 149.7 33.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 108.297 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . 0.458 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 6.8 t-80 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.58 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.2 m . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.471 HG23 ' CE ' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -132.75 143.09 40.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.339 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.733 ' CG ' ' CE1' ' A' ' 129' ' ' HIS . 21.6 t80 -73.28 96.26 2.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 110.976 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.607 ' HG3' ' CE1' ' A' ' 20' ' ' HIS . 0.1 OUTLIER -58.42 99.84 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.457 ' H ' ' CD2' ' A' ' 20' ' ' HIS . . . -89.82 155.07 24.39 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.483 1.114 . . . . 0.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.425 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.3 Cg_endo -74.99 -19.66 17.65 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.455 1.766 . . . . 0.0 110.978 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.471 ' HA ' ' CG2' ' A' ' 47' ' ' THR . 3.1 mt -120.41 -75.61 0.59 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.462 ' CD1' ' HB3' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -109.64 134.46 51.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.303 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.607 ' CE1' ' HG3' ' A' ' 15' ' ' LYS . 10.5 m170 -80.75 156.06 26.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.656 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.476 HD11 ' CD2' ' A' ' 43' ' ' LEU . 2.7 mm -128.98 122.89 57.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.444 ' HA ' ' C ' ' A' ' 23' ' ' PRO . 4.5 t -131.66 128.93 21.92 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.978 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.498 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 18.3 Cg_endo -74.98 -162.56 2.82 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 121.001 -2.5 . . . . 0.0 111.009 -0.102 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.31 -98.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.276 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.507 ' O ' ' CG ' ' A' ' 132' ' ' ARG . 22.6 mt-10 -115.51 66.72 0.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.341 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.583 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 2.3 pt-20 -162.95 153.19 16.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.6 mt -149.76 127.3 11.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.662 ' CE2' ' CD2' ' A' ' 134' ' ' HIS . 3.7 m-85 -109.43 120.93 44.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.532 ' CE2' HG23 ' A' ' 90' ' ' VAL . 57.2 m-85 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.955 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.96 157.68 43.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.486 ' CG2' ' HB ' ' A' ' 82' ' ' VAL . 9.4 t -112.7 160.4 17.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.428 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.461 ' CD1' HD13 ' A' ' 81' ' ' ILE . 0.6 OUTLIER -131.74 117.9 19.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.451 ' N ' HD11 ' A' ' 40' ' ' LEU . 11.4 mt -90.96 146.4 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.6 t -119.39 135.6 59.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.476 ' CD2' HD11 ' A' ' 21' ' ' ILE . 19.1 mt -121.09 105.73 10.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.6 m -97.54 106.72 19.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.372 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 72' ' ' CYS . 9.6 t-20 -69.78 111.33 5.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.487 HG12 ' CE1' ' A' ' 20' ' ' HIS . 11.3 m -101.69 34.09 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.251 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.471 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 1.2 p -120.72 163.59 17.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.127 . . . . 0.0 110.389 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -97.06 23.06 7.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -154.06 143.2 21.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.41 HG23 ' N ' ' A' ' 51' ' ' VAL . 24.1 mt -43.73 148.66 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.348 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.41 ' N ' HG23 ' A' ' 50' ' ' ILE . 54.2 t -138.96 122.47 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.567 ' HB3' ' CE2' ' A' ' 117' ' ' PHE . . . -80.64 138.57 36.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.613 ' CZ ' ' HB3' ' A' ' 70' ' ' SER . 18.0 p90 -131.46 147.72 52.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.16 . . . . 0.0 111.006 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.499 ' HD2' ' CD1' ' A' ' 118' ' ' TRP . 29.7 mttt -139.3 155.68 47.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 49.8 t -125.34 116.9 48.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.273 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.463 ' CD ' ' SD ' ' A' ' 99' ' ' MET . 0.0 OUTLIER -126.05 172.48 9.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 110.3 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.435 ' HG1' ' N ' ' A' ' 58' ' ' THR . 4.5 t -164.36 167.9 19.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.418 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.435 ' N ' ' HG1' ' A' ' 57' ' ' THR . 9.2 p -87.83 24.21 1.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.383 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.488 ' HB3' ' CD ' ' A' ' 62' ' ' LYS . . . 179.84 71.95 0.16 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 0.54 8.73 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.445 1.76 . . . . 0.0 110.999 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -102.12 48.05 0.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.336 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.53 ' HD2' ' CE2' ' A' ' 63' ' ' TYR . 0.3 OUTLIER -168.57 -40.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.352 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.53 ' CE2' ' HD2' ' A' ' 62' ' ' LYS . 63.3 m-85 -101.75 134.54 44.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.993 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.21 92.62 6.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.462 ' O ' ' CG2' ' A' ' 65' ' ' VAL . 0.7 OUTLIER -97.9 118.4 44.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.369 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.509 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.6 OUTLIER -157.72 133.8 6.12 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.255 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 66' ' ' LYS . 18.3 Cg_endo -74.99 146.78 87.62 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 120.981 -2.508 . . . . 0.0 111.024 -0.044 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.461 ' HB3' ' O ' ' A' ' 65' ' ' VAL . 8.1 p -112.95 17.86 18.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.006 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.408 ' O ' ' HB2' ' A' ' 70' ' ' SER . 16.3 p-10 -171.18 107.64 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.613 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 46.4 t 177.82 -166.67 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.005 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.494 ' HB2' ' CG2' ' A' ' 109' ' ' THR . 0.8 OUTLIER -139.14 160.73 39.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.976 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.436 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 41.4 t -122.76 116.16 23.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 108.308 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -49.51 163.16 0.39 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 127.78 10.92 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.482 1.78 . . . . 0.0 110.941 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.48 35.28 33.37 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.126 . . . . 0.0 110.974 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -137.94 -178.89 5.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 0.768 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.0 p -142.85 134.06 25.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.004 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.436 ' CG2' ' HB2' ' A' ' 43' ' ' LEU . 1.0 OUTLIER -104.97 172.79 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -130.52 124.02 30.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.588 HD13 ' CE1' ' A' ' 53' ' ' PHE . 4.2 mm -120.19 103.45 14.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.461 HD13 ' CD1' ' A' ' 40' ' ' LEU . 2.4 mp -77.1 147.82 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.563 HG11 ' CZ ' ' A' ' 96' ' ' PHE . 96.9 t -140.68 97.48 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.09 124.51 34.49 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.026 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.509 ' HG3' ' CD1' ' A' ' 29' ' ' PHE . 18.4 Cg_endo -74.99 160.65 39.92 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.491 1.785 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.455 ' N ' ' O ' ' A' ' 62' ' ' LYS . 1.6 t-80 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.623 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.439 ' OG1' ' N ' ' A' ' 90' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.444 -0.206 . . . . 0.0 110.444 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.532 HG23 ' CE2' ' A' ' 29' ' ' PHE . 7.6 p -91.1 126.81 43.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.4 m -129.47 -173.78 3.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.993 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -93.01 40.38 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -115.97 -34.29 4.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.302 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -92.52 165.01 13.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -143.94 153.61 42.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.563 ' CZ ' HG11 ' A' ' 82' ' ' VAL . 27.4 m-85 -110.67 154.06 24.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.44 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 1.9 tm? -133.6 146.75 51.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.473 HG22 ' CD1' ' A' ' 21' ' ' ILE . 3.5 mt -137.36 137.54 45.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.549 ' CE ' ' CD2' ' A' ' 118' ' ' TRP . 18.7 mtp -110.39 153.2 25.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 110.975 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.406 ' CB ' ' HE3' ' A' ' 127' ' ' MET . . . -161.81 117.59 2.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.584 ' HB2' ' CZ3' ' A' ' 118' ' ' TRP . . . -136.33 135.28 38.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -69.96 119.99 15.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.582 ' HG3' ' CZ ' ' A' ' 117' ' ' PHE . 13.2 mtp -89.88 172.0 9.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -68.26 -141.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 110.247 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -97.52 -32.1 11.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.294 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.74 136.5 45.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.993 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -173.91 127.75 0.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.001 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -86.73 -4.63 82.45 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.523 1.139 . . . . 0.0 111.021 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.553 ' HA ' ' CD2' ' A' ' 114' ' ' LEU . 68.0 p 43.01 36.52 0.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 0.783 . . . . 0.0 110.402 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.597 ' O ' HD22 ' A' ' 114' ' ' LEU . . . -88.72 -163.09 39.04 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.474 1.109 . . . . 0.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -47.62 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.495 1.787 . . . . 0.0 111.054 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.49 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -73.01 -60.54 2.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.49 ' C ' ' O ' ' A' ' 112' ' ' ALA . 27.5 mp0 -31.78 -52.42 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.329 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.597 HD22 ' O ' ' A' ' 110' ' ' GLY . 3.7 mm? -62.41 -69.65 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 114' ' ' LEU . 0.1 OUTLIER -39.02 -30.23 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.012 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 114' ' ' LEU . 3.4 mm100 -80.84 -53.68 6.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.582 ' CZ ' ' HG3' ' A' ' 103' ' ' MET . 72.7 t80 -53.97 -42.07 68.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . 0.596 ' CZ3' HG12 ' A' ' 126' ' ' VAL . 24.5 m95 -67.16 -16.54 64.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 107.967 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.445 ' HG2' ' O ' ' A' ' 119' ' ' LYS . 0.0 OUTLIER -89.41 -15.73 32.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -97.82 -40.84 8.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.574 HG21 ' CZ ' ' A' ' 117' ' ' PHE . 2.3 t -71.09 129.26 89.56 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.529 ' O ' ' CG2' ' A' ' 126' ' ' VAL . 18.4 Cg_endo -74.97 170.33 20.66 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.471 1.774 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.19 2.51 15.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.243 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -101.01 -22.54 14.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.508 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 23.6 mmtt -102.25 -31.67 10.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.329 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.596 HG12 ' CZ3' ' A' ' 118' ' ' TRP . 47.1 t -70.44 109.67 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' MET . . . . . 0.425 ' SD ' ' HD2' ' A' ' 17' ' ' PRO . 36.4 ttp -79.88 117.37 20.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 110.986 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -106.04 124.28 49.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . 0.733 ' CE1' ' CG ' ' A' ' 14' ' ' PHE . 35.3 t60 -118.35 118.33 31.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.603 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -95.52 130.27 42.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.32 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 1.3 mt -101.74 166.6 10.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.507 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -131.81 158.13 42.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.31 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 63.5 m -84.39 145.1 28.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 108.257 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . 0.662 ' CD2' ' CE2' ' A' ' 28' ' ' TYR . 27.1 t-80 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.657 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.9 m . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.2 m -129.55 139.37 51.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.747 ' CG ' ' CE1' ' A' ' 129' ' ' HIS . 56.2 t80 -75.45 95.5 3.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.525 ' HD3' ' CE1' ' A' ' 20' ' ' HIS . 0.2 OUTLIER -65.11 115.36 5.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.247 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.466 ' H ' ' CD2' ' A' ' 20' ' ' HIS . . . -97.55 165.33 22.37 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.429 1.081 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.431 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.3 Cg_endo -75.0 -16.17 20.35 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.539 1.81 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.419 ' HA ' ' CG2' ' A' ' 47' ' ' THR . 3.4 mt -125.25 -73.07 0.64 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.42 HD11 ' N ' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -110.44 134.44 52.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.347 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.562 ' CE1' HG11 ' A' ' 46' ' ' VAL . 25.4 m170 -82.72 154.99 24.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 109.591 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.483 HD11 ' CG2' ' A' ' 98' ' ' ILE . 1.6 mm -124.4 140.1 48.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.469 ' HA ' ' C ' ' A' ' 23' ' ' PRO . 0.3 OUTLIER -150.99 130.27 6.49 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.048 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.469 ' C ' ' HA ' ' A' ' 22' ' ' SER . 18.5 Cg_endo -75.0 178.69 33.58 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 120.979 -2.509 . . . . 0.0 111.029 0.006 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.31 -99.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.432 ' O ' ' CZ ' ' A' ' 132' ' ' ARG . 3.9 pm0 -128.52 61.21 1.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.282 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.406 ' O ' ' HG2' ' A' ' 23' ' ' PRO . 0.0 OUTLIER -162.65 103.81 1.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 110.308 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.8 mt -101.01 141.07 34.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.551 ' CE1' ' HB3' ' A' ' 134' ' ' HIS . 1.4 m-85 -130.95 91.97 3.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 111.015 179.991 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.5 mttm . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.42 144.56 40.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.463 ' CG2' ' HB ' ' A' ' 82' ' ' VAL . 6.6 t -107.13 129.17 54.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.38 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.499 HD13 ' N ' ' A' ' 41' ' ' ILE . 2.6 tp -111.51 119.15 37.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.499 ' N ' HD13 ' A' ' 40' ' ' LEU . 36.7 mt -90.78 146.79 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.436 ' N ' HG22 ' A' ' 41' ' ' ILE . 2.4 t -116.93 127.64 74.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.482 ' CD2' HD12 ' A' ' 21' ' ' ILE . 11.6 mt -112.97 106.59 14.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.8 m -98.16 108.82 21.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 110.394 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -76.3 113.28 13.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.562 HG11 ' CE1' ' A' ' 20' ' ' HIS . 12.7 m -86.95 -39.38 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.419 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 1.6 p -52.33 160.25 0.84 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.384 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt -97.07 29.03 3.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.26 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 50' ' ' ILE . 7.1 m-80 -151.61 137.13 17.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 49' ' ' ASN . 17.4 mt -40.14 142.99 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.445 ' C ' ' OG ' ' A' ' 71' ' ' SER . 41.1 t -135.66 109.04 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.555 ' HB1' ' CE2' ' A' ' 117' ' ' PHE . . . -69.85 139.36 53.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.65 ' CE1' HD13 ' A' ' 80' ' ' ILE . 16.8 p90 -129.7 162.24 28.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.553 ' HE3' ' CD1' ' A' ' 118' ' ' TRP . 12.0 mttm -146.05 157.18 43.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 57.8 t -129.02 107.05 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 0.0 109.324 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.469 ' O ' ' N ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -118.65 142.06 48.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 110.321 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.44 168.93 18.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.413 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 31.8 p -78.67 2.62 18.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.401 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -154.29 75.2 5.95 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.426 1.079 . . . . 0.0 109.343 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -3.93 14.64 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.535 1.808 . . . . 0.0 110.99 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -108.3 26.72 10.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 110.277 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.6 mtpt -138.82 -46.69 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -101.51 134.48 44.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.07 102.59 14.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 110.355 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.475 ' CG2' ' HB3' ' A' ' 68' ' ' SER . 0.6 OUTLIER -104.32 119.21 52.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.468 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.0 OUTLIER -153.4 128.75 4.99 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.468 ' C ' ' HA ' ' A' ' 66' ' ' LYS . 18.3 Cg_endo -74.99 152.66 98.49 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 121.023 -2.49 . . . . 0.0 111.024 -0.035 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.475 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 42.9 p -112.36 -14.22 13.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.022 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -145.91 87.53 1.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.344 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.584 ' HB2' ' CZ ' ' A' ' 53' ' ' PHE . 2.3 m -155.86 -164.94 1.83 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 0.0 110.012 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.471 ' HB3' ' CG2' ' A' ' 109' ' ' THR . 2.8 t -140.26 171.69 13.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.958 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 39.1 t -134.84 115.99 14.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 108.31 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.87 162.66 0.36 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 133.45 16.65 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.518 1.799 . . . . 0.0 111.033 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.09 8.91 87.21 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -118.67 -178.74 3.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 0.748 . . . . 0.0 109.259 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.44 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 2.8 p -146.11 137.29 24.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.986 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.401 HG21 HD13 ' A' ' 80' ' ' ILE . 2.1 tt -105.19 166.41 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -121.18 117.18 26.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.65 HD13 ' CE1' ' A' ' 53' ' ' PHE . 6.2 mm -108.19 95.15 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.3 mp -71.62 144.87 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.554 HG11 ' CZ ' ' A' ' 96' ' ' PHE . 55.6 t -139.6 97.24 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.35 136.64 24.08 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.97 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 173.9 13.72 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.519 1.799 . . . . 0.0 110.948 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.619 -179.98 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 75.0 t -92.4 129.08 43.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.7 t -134.23 174.66 10.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.024 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -92.51 37.3 1.0 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -112.22 -31.63 6.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -85.69 150.0 24.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 96' ' ' PHE . 0.0 OUTLIER -134.18 143.58 47.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.251 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.554 ' CZ ' HG11 ' A' ' 82' ' ' VAL . 10.7 m-85 -107.71 154.12 21.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 111.043 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 56' ' ' ARG . 3.2 tm? -139.65 126.03 20.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.483 ' CG2' HD11 ' A' ' 21' ' ' ILE . 3.0 mt -117.4 123.42 71.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.589 ' HE3' ' CH2' ' A' ' 118' ' ' TRP . 24.6 mtm -102.83 153.7 19.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 111.017 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -155.56 118.59 4.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.351 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.4 ' HB3' HG21 ' A' ' 126' ' ' VAL . . . -129.16 135.89 49.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -70.34 119.72 14.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 110.247 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.583 ' HG3' ' CZ ' ' A' ' 117' ' ' PHE . 4.3 mtp -86.71 171.11 11.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -79.79 -143.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.74 -166.94 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.2 m -53.48 113.6 1.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.987 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.1 m -134.33 142.26 47.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.039 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.43 ' N ' ' OE1' ' A' ' 113' ' ' GLU . . . -58.45 -171.61 0.31 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.501 1.125 . . . . 0.0 110.997 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.538 ' HA ' ' CD2' ' A' ' 114' ' ' LEU . 36.8 p -148.27 33.32 0.81 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.477 0.751 . . . . 0.0 110.381 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.562 ' O ' HD23 ' A' ' 114' ' ' LEU . . . -78.11 -169.93 35.26 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.533 1.146 . . . . 0.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -20.09 17.19 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.567 1.825 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.477 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -92.66 -65.15 1.02 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.477 ' C ' ' O ' ' A' ' 112' ' ' ALA . 2.1 mm-40 -33.09 -43.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.562 HD23 ' O ' ' A' ' 110' ' ' GLY . 3.8 mm? -70.58 -69.89 0.33 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 114' ' ' LEU . 1.8 t -34.75 -37.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 114' ' ' LEU . 1.0 OUTLIER -70.99 -56.98 5.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.243 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.583 ' CZ ' ' HG3' ' A' ' 103' ' ' MET . 70.6 t80 -57.89 -26.35 62.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . 0.589 ' CH2' ' HE3' ' A' ' 99' ' ' MET . 89.9 m95 -81.78 -16.07 52.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 107.991 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.443 ' HD3' ' CG ' ' A' ' 120' ' ' GLU . 0.0 OUTLIER -88.88 -20.67 24.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.443 ' CG ' ' HD3' ' A' ' 119' ' ' LYS . 4.8 mt-10 -99.88 -47.26 5.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.518 ' CG1' ' O ' ' A' ' 117' ' ' PHE . 7.3 p -69.64 125.38 91.94 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.547 ' HG2' ' CG ' ' A' ' 125' ' ' LYS . 18.3 Cg_endo -75.01 177.11 9.03 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.535 1.808 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.455 ' C ' ' CD ' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -88.49 0.26 56.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.342 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -103.45 -5.23 23.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.547 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 35.4 mmtt -107.46 -29.62 9.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.519 HG21 ' CH2' ' A' ' 118' ' ' TRP . 6.0 p -89.19 144.3 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' MET . . . . . 0.444 ' O ' ' HA ' ' A' ' 99' ' ' MET . 43.0 ttp -85.64 139.67 31.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -118.02 126.36 52.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.323 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . 0.747 ' CE1' ' CG ' ' A' ' 14' ' ' PHE . 62.7 t60 -135.26 118.43 16.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.595 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.58 131.87 38.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -108.81 144.05 37.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.26 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.432 ' CZ ' ' O ' ' A' ' 25' ' ' GLU . 8.0 ptt-85 -124.64 148.32 48.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.335 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 15.0 p -91.87 146.17 23.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 108.32 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . 0.551 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.629 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.8 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.1 t -132.77 123.62 49.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.722 ' CD1' ' CE1' ' A' ' 129' ' ' HIS . 77.0 t80 -73.64 95.57 2.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.589 ' HD3' ' CE1' ' A' ' 20' ' ' HIS . 21.0 mmtp -63.34 110.97 2.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.492 ' H ' ' CD2' ' A' ' 20' ' ' HIS . . . -95.49 157.31 21.84 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.465 1.103 . . . . 0.0 110.955 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.404 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.3 Cg_endo -75.01 -15.28 20.8 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.784 . . . . 0.0 111.018 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.478 ' HA ' ' CG2' ' A' ' 47' ' ' THR . 6.7 mt -124.66 -72.28 0.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.456 ' CD1' ' HB3' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -113.21 134.04 54.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.326 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.589 ' CE1' ' HD3' ' A' ' 15' ' ' LYS . 14.5 m170 -81.23 157.35 25.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.604 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.479 HD12 ' CG2' ' A' ' 98' ' ' ILE . 1.7 mm -124.62 139.65 50.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.444 ' HA ' ' C ' ' A' ' 23' ' ' PRO . 5.3 t -152.25 126.66 4.54 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.006 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.444 ' C ' ' HA ' ' A' ' 22' ' ' SER . 18.4 Cg_endo -74.94 -177.32 20.13 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.02 -2.492 . . . . 0.0 111.025 -0.051 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.44 -98.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -126.69 58.1 1.42 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -163.16 103.69 0.98 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.484 ' CD1' ' OG1' ' A' ' 39' ' ' THR . 0.1 OUTLIER -86.11 144.43 27.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -132.09 92.17 3.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 111.042 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.419 ' CE2' HG22 ' A' ' 39' ' ' THR . 95.7 m-85 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 111.026 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.7 mtmm . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.29 142.85 44.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.484 ' OG1' ' CD1' ' A' ' 27' ' ' LEU . 9.4 t -105.4 144.01 32.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.392 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.474 HD11 ' N ' ' A' ' 41' ' ' ILE . 2.5 tp -121.4 120.61 35.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.474 ' N ' HD11 ' A' ' 40' ' ' LEU . 32.8 mt -89.25 153.44 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 t -124.56 129.52 73.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.485 ' HA ' ' O ' ' A' ' 20' ' ' HIS . 10.4 mt -116.32 103.89 10.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.403 ' C ' HD11 ' A' ' 19' ' ' LEU . 1.0 OUTLIER -91.67 110.14 21.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 0.0 110.373 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 72' ' ' CYS . 18.3 t-20 -72.77 119.41 16.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.7 m -114.51 39.43 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.478 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 1.8 p -127.61 158.73 36.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.178 . . . . 0.0 110.388 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.66 27.52 2.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.428 ' O ' ' C ' ' A' ' 50' ' ' ILE . 8.2 m-80 -159.35 135.48 8.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.428 ' C ' ' O ' ' A' ' 49' ' ' ASN . 13.0 mt -37.68 140.99 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.402 ' HB ' ' CD2' ' A' ' 19' ' ' LEU . 71.0 t -127.3 119.52 52.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.508 ' HB1' ' CE2' ' A' ' 117' ' ' PHE . . . -84.54 131.0 34.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.627 ' CE1' HD13 ' A' ' 80' ' ' ILE . 10.3 p90 -120.61 159.74 24.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.511 ' HD2' ' CE2' ' A' ' 118' ' ' TRP . 4.2 mttm -147.2 143.2 28.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 95.7 t -114.63 117.0 54.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -122.31 168.69 11.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.401 ' OG1' ' N ' ' A' ' 58' ' ' THR . 1.7 t -168.2 172.02 8.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.391 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.401 ' N ' ' OG1' ' A' ' 57' ' ' THR . 10.9 p -84.44 8.82 15.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.376 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -154.21 76.28 5.77 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.258 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -1.6 11.44 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.481 1.779 . . . . 0.0 111.041 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -119.61 30.16 7.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.34 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -137.28 -46.37 0.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -102.1 127.82 48.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 111.033 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.503 ' CB ' ' O ' ' A' ' 83' ' ' SER . 5.0 ttt180 -85.87 93.65 8.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 110.321 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 0.7 OUTLIER -99.05 116.09 41.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.461 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.2 OUTLIER -152.78 127.85 4.82 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 109.243 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.461 ' C ' ' HA ' ' A' ' 66' ' ' LYS . 18.2 Cg_endo -74.99 154.39 99.67 Favored 'Cis proline' 0 C--N 1.361 1.19 0 C-N-CA 121.023 -2.491 . . . . 0.0 110.976 -0.041 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.477 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 39.6 p -112.33 -18.69 12.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.002 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 39.4 p-10 -142.07 90.64 2.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.454 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -156.86 -167.85 2.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.005 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.419 ' HB2' ' CG2' ' A' ' 109' ' ' THR . 0.7 OUTLIER -138.84 172.62 12.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 110.02 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.457 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 44.3 t -134.87 120.6 19.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 108.313 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.6 160.17 0.62 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 119.29 5.59 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.534 1.808 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.92 22.31 23.52 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.448 1.092 . . . . 0.0 111.043 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -137.41 -178.38 5.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 0.785 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.448 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 3.2 p -142.6 141.15 31.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.019 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.467 ' CG2' HD11 ' A' ' 43' ' ' LEU . 1.3 tt -104.53 162.44 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.365 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -118.3 117.65 29.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.627 HD13 ' CE1' ' A' ' 53' ' ' PHE . 6.0 mm -110.09 97.17 5.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.2 mp -72.44 144.59 12.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.464 ' HB ' ' CG2' ' A' ' 39' ' ' THR . 97.0 t -135.73 97.92 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.503 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -126.06 119.94 23.86 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.032 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 173.82 13.83 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.492 1.785 . . . . 0.0 111.038 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.595 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 69.2 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.403 ' O ' ' O ' ' A' ' 91' ' ' SER . 1.0 OUTLIER -112.76 -3.88 10.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 90' ' ' VAL . 3.7 m 41.32 -162.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.009 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -150.64 24.71 0.77 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -106.1 -33.69 7.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.327 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.17 171.47 10.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.137 . . . . 0.0 109.339 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -144.51 160.83 40.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.432 ' CZ ' HG12 ' A' ' 82' ' ' VAL . 14.5 m-85 -120.67 151.81 39.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.107 . . . . 0.0 111.024 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 25.2 tp -134.84 136.71 42.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.479 ' CG2' HD12 ' A' ' 21' ' ' ILE . 3.2 mt -127.88 121.86 57.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.583 ' HE1' ' CZ3' ' A' ' 118' ' ' TRP . 28.7 mtm -101.71 157.9 16.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -161.23 119.19 2.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.442 ' HB2' ' CE2' ' A' ' 117' ' ' PHE . . . -128.09 141.99 51.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -69.9 112.6 6.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.583 ' HG2' ' CZ ' ' A' ' 117' ' ' PHE . 0.0 OUTLIER -87.02 172.32 10.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.981 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' A' ' 103' ' ' MET . 2.0 mt-10 -60.59 -143.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 110.302 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -97.09 -78.92 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.72 107.88 20.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 109.981 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 27.0 m -154.64 130.33 9.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.968 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.44 152.75 44.28 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.537 1.148 . . . . 0.0 110.984 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.6 ' HA ' ' CD2' ' A' ' 114' ' ' LEU . 38.9 p -103.65 19.36 20.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 0.752 . . . . 0.0 110.386 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.623 ' O ' HD21 ' A' ' 114' ' ' LEU . . . -56.09 -179.77 0.42 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -16.11 20.35 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.473 1.775 . . . . 0.0 110.969 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.456 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -92.77 -64.8 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 112' ' ' ALA . 17.0 mp0 -34.09 -53.73 0.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.623 HD21 ' O ' ' A' ' 110' ' ' GLY . 4.6 mm? -55.17 -69.18 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.458 ' C ' ' O ' ' A' ' 114' ' ' LEU . 0.1 OUTLIER -34.06 -44.27 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 110.013 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.408 ' O ' ' HD2' ' A' ' 119' ' ' LYS . 8.2 mm-40 -61.74 -59.63 4.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.154 . . . . 0.0 110.254 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.583 ' CZ ' ' HG2' ' A' ' 103' ' ' MET . 51.3 t80 -56.05 -31.53 63.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . 0.583 ' CZ3' ' HE1' ' A' ' 99' ' ' MET . 90.6 m95 -76.39 -15.89 59.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 107.997 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.434 ' HD3' ' CG ' ' A' ' 120' ' ' GLU . 0.2 OUTLIER -90.77 -18.18 25.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.434 ' CG ' ' HD3' ' A' ' 119' ' ' LYS . 4.2 mt-10 -103.95 -46.32 4.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.517 ' CG1' ' O ' ' A' ' 117' ' ' PHE . 8.9 p -69.59 121.94 84.07 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.533 ' HG2' ' CG ' ' A' ' 125' ' ' LYS . 18.2 Cg_endo -75.08 165.9 30.24 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.464 1.77 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.48 ' HA ' ' CG1' ' A' ' 126' ' ' VAL . 0.0 OUTLIER -76.99 0.92 19.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -102.44 -7.73 21.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.533 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 31.1 mmtt -107.73 -25.68 11.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.578 HG23 ' CH2' ' A' ' 118' ' ' TRP . 4.8 p -92.87 143.44 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' MET . . . . . 0.433 ' HG2' ' N ' ' A' ' 128' ' ' GLU . 50.7 ttp -82.26 149.1 28.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.991 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.433 ' N ' ' HG2' ' A' ' 127' ' ' MET . 63.0 mt-10 -128.84 126.13 39.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 110.315 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . 0.722 ' CE1' ' CD1' ' A' ' 14' ' ' PHE . 65.8 t60 -135.99 122.3 20.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.587 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.94 139.62 30.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.325 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.467 ' CD2' HD21 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -117.09 150.64 38.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.263 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.5 159.96 38.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.309 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 9.2 t -87.25 158.29 19.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 108.304 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.596 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.432 ' CG2' ' HE2' ' A' ' 15' ' ' LYS . 0.9 OUTLIER -129.16 147.39 33.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.74 ' CG ' ' CE1' ' A' ' 129' ' ' HIS . 19.3 t80 -76.33 96.07 3.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.597 ' HG3' ' CE1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -51.39 94.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.449 ' H ' ' CD2' ' A' ' 20' ' ' HIS . . . -76.91 152.47 40.58 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.468 1.105 . . . . 0.0 110.961 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -18.23 18.93 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.479 1.779 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -131.91 -57.77 0.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.466 ' CB ' ' HB1' ' A' ' 100' ' ' ALA . 0.0 OUTLIER -120.03 131.7 55.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.597 ' CE1' ' HG3' ' A' ' 15' ' ' LYS . 6.6 m170 -78.49 156.5 29.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.621 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.5 HD12 ' CG2' ' A' ' 98' ' ' ILE . 2.4 mm -126.84 121.9 59.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.416 ' O ' ' HA ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -131.05 125.76 21.29 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.994 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.419 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 18.2 Cg_endo -75.06 -172.77 11.25 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.979 -2.509 . . . . 0.0 110.958 0.031 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.402 ' O ' ' NE2' ' A' ' 129' ' ' HIS . . . -64.79 -68.35 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.507 ' HA ' ' CD2' ' A' ' 131' ' ' LEU . 2.6 pm0 -156.58 58.6 0.55 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.268 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.456 ' CG ' ' C ' ' A' ' 25' ' ' GLU . 2.1 mt-10 -155.03 103.35 2.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.516 ' HB3' ' CE2' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -100.64 109.04 21.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -88.88 91.8 8.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.581 ' CE1' HG21 ' A' ' 39' ' ' THR . 70.0 m-85 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 111.052 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.5 mttt . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.499 ' HG2' ' N ' ' A' ' 39' ' ' THR . 0.3 OUTLIER -124.34 141.88 51.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.317 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.581 HG21 ' CE1' ' A' ' 29' ' ' PHE . 1.3 t -110.65 160.96 16.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 110.379 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.509 HD11 ' N ' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -131.49 123.11 27.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.549 1.156 . . . . 0.0 109.285 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.509 ' N ' HD11 ' A' ' 40' ' ' LEU . 10.2 mt -91.16 156.8 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.7 t -129.24 126.18 63.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.467 ' CD2' HD13 ' A' ' 21' ' ' ILE . 23.5 mt -112.5 102.19 10.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.424 ' C ' HD11 ' A' ' 19' ' ' LEU . 0.9 OUTLIER -92.4 108.11 19.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 110.447 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.421 ' OD1' ' OG1' ' A' ' 47' ' ' THR . 34.8 t30 -74.14 106.13 5.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.8 m -97.92 37.83 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.421 ' OG1' ' OD1' ' A' ' 45' ' ' ASN . 1.1 p -124.12 163.82 20.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.425 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -97.81 24.92 6.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 109.269 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -157.02 137.06 12.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.425 HG23 ' N ' ' A' ' 51' ' ' VAL . 56.1 mt -40.09 148.28 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.425 ' N ' HG23 ' A' ' 50' ' ' ILE . 53.7 t -138.4 118.23 14.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.88 132.73 35.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.609 ' CE1' HD13 ' A' ' 80' ' ' ILE . 6.9 p90 -122.64 154.92 37.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.424 ' HD2' ' CD2' ' A' ' 118' ' ' TRP . 6.7 mttm -139.23 147.21 41.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.087 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 96.3 t -113.82 107.08 22.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 97' ' ' LEU . 1.1 tmt_? -110.17 155.85 21.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.292 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.0 t -158.58 169.74 23.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.385 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.4 p -87.73 21.58 2.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.413 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -168.23 75.23 0.87 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -5.27 16.59 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.521 1.8 . . . . 0.0 111.003 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -118.28 35.88 4.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.287 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.9 mtpt -145.69 -44.82 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.33 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.46 ' OH ' ' CB ' ' A' ' 94' ' ' ASP . 90.3 m-85 -101.21 134.02 44.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.81 101.7 14.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.256 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 0.7 OUTLIER -112.09 115.27 49.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.41 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.0 OUTLIER -149.87 125.62 5.01 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.473 ' HD2' ' CD1' ' A' ' 80' ' ' ILE . 18.4 Cg_endo -75.04 157.85 99.32 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 120.999 -2.501 . . . . 0.0 111.04 0.051 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.474 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 54.6 p -112.84 -10.85 13.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.988 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -157.4 85.24 0.92 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -141.56 -163.6 1.6 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 110.022 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.415 ' OG ' ' CG2' ' A' ' 50' ' ' ILE . 11.8 t -138.09 170.54 15.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.007 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 43.7 t -140.41 118.58 11.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 108.331 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.59 164.52 1.1 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 136.8 20.86 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.483 1.781 . . . . 0.0 111.005 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.01 23.52 71.59 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.48 1.113 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -138.64 -179.07 5.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.765 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.45 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 3.9 p -145.21 143.88 30.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.963 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.406 ' CG2' ' CE2' ' A' ' 53' ' ' PHE . 1.3 tt -105.15 165.6 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -116.84 123.45 47.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.609 HD13 ' CE1' ' A' ' 53' ' ' PHE . 2.8 mm -120.52 106.26 18.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.162 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.477 HD13 ' CD2' ' A' ' 40' ' ' LEU . 2.6 mp -81.52 148.56 5.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.511 ' CG1' ' CZ ' ' A' ' 96' ' ' PHE . 80.1 t -140.12 96.95 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -114.9 118.72 40.32 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.025 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.47 ' HG3' ' CG1' ' A' ' 90' ' ' VAL . 18.3 Cg_endo -75.02 153.97 42.06 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.478 1.778 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 109.622 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.453 ' OG1' ' N ' ' A' ' 90' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.471 ' O ' ' N ' ' A' ' 92' ' ' ALA . 5.9 m -76.15 -2.18 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 52.69 -89.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 109.979 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 90' ' ' VAL . . . 177.58 -40.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -68.07 -28.23 67.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.319 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.46 ' CB ' ' OH ' ' A' ' 63' ' ' TYR . 7.0 p-10 -41.35 144.86 0.29 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.105 . . . . 0.0 109.338 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 19.4 mmm-85 -140.42 144.99 36.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.511 ' CZ ' ' CG1' ' A' ' 82' ' ' VAL . 22.1 m-85 -119.65 154.19 34.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 56' ' ' ARG . 42.9 tp -133.57 148.06 51.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.344 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.5 ' CG2' HD12 ' A' ' 21' ' ' ILE . 3.1 mt -138.25 123.05 22.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.601 ' CE ' ' CZ3' ' A' ' 118' ' ' TRP . 7.6 mtp -99.1 154.98 17.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 111.05 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.466 ' HB1' ' CB ' ' A' ' 19' ' ' LEU . . . -159.48 116.62 2.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.261 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.455 ' HB2' ' CB ' ' A' ' 126' ' ' VAL . . . -130.68 133.17 45.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -69.83 120.38 15.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 110.321 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.587 ' HG2' ' CE1' ' A' ' 117' ' ' PHE . 0.0 OUTLIER -89.17 172.65 8.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 111.041 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -72.71 -169.88 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 110.317 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -67.92 -42.08 81.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.32 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.47 115.66 27.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.975 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.471 ' HB3' ' CE ' ' A' ' 103' ' ' MET . 22.2 m -136.48 106.94 6.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.039 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -72.07 -9.04 70.9 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 66.6 p 39.9 51.25 2.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 0.752 . . . . 0.0 110.419 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -117.35 -170.77 15.36 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.495 1.122 . . . . 0.0 111.029 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -21.13 16.27 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.481 1.779 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -91.78 -69.31 0.75 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 109.263 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 112' ' ' ALA . 2.1 mm-40 -38.44 -46.24 1.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 118' ' ' TRP . 87.1 mt -62.8 -60.61 3.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.536 ' O ' ' CG ' ' A' ' 119' ' ' LYS . 0.4 OUTLIER -53.14 -26.95 18.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.041 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.524 ' HA ' ' CG ' ' A' ' 119' ' ' LYS . 1.1 tt0 -82.98 -35.19 26.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.587 ' CE1' ' HG2' ' A' ' 103' ' ' MET . 12.1 t80 -83.24 -22.9 32.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 111.006 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . 0.601 ' CZ3' ' CE ' ' A' ' 99' ' ' MET . 62.4 m95 -87.6 -27.07 22.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 108.034 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.536 ' CG ' ' O ' ' A' ' 115' ' ' SER . 0.0 OUTLIER -82.99 -22.43 33.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -94.27 -42.91 8.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.318 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.556 ' CG1' ' O ' ' A' ' 117' ' ' PHE . 7.9 p -69.59 122.62 86.34 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.523 ' HG2' ' CG ' ' A' ' 125' ' ' LYS . 18.3 Cg_endo -74.96 -173.08 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.518 1.799 . . . . 0.0 111.016 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.503 ' C ' ' CD ' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -93.22 0.83 57.21 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . 0.442 ' N ' ' HD2' ' A' ' 123' ' ' ARG . 2.4 t-20 -102.32 -13.57 17.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.523 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 27.5 mmtt -102.7 -28.98 11.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.573 HG22 ' CZ3' ' A' ' 118' ' ' TRP . 14.8 p -92.19 137.96 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' MET . . . . . 0.411 ' C ' ' SD ' ' A' ' 127' ' ' MET . 19.1 tmm? -85.43 137.13 33.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 111.058 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -119.26 128.66 54.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . 0.74 ' CE1' ' CG ' ' A' ' 14' ' ' PHE . 63.0 t60 -131.89 123.03 26.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.59 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -93.83 136.28 34.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.278 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.507 ' CD2' ' HA ' ' A' ' 25' ' ' GLU . 0.6 OUTLIER -111.61 158.69 18.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.258 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -140.81 156.1 46.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 26.5 p -81.49 157.72 24.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 108.278 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 51.0 t60 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.606 179.974 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.1 t -113.14 133.02 55.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 0.752 . . . . 0.0 109.998 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.2 m -162.03 165.89 26.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.012 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.77 -139.78 2.74 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.453 1.096 . . . . 0.0 110.966 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.5 p -176.02 151.07 1.04 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 0.764 . . . . 0.0 109.968 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 65.94 165.38 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.992 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.86 -124.6 2.29 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.98 162.14 5.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -160.92 146.39 10.97 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 159.98 40.66 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.553 1.817 . . . . 0.0 110.971 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.92 119.67 34.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.9 m -124.34 151.97 43.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.959 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.41 HG21 ' CE ' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -130.48 147.82 33.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.491 ' CG ' ' CE1' ' A' ' 129' ' ' HIS . 26.5 t80 -74.65 95.62 2.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.983 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.622 ' HG3' ' CE1' ' A' ' 20' ' ' HIS . 0.1 OUTLIER -58.28 92.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.432 ' H ' ' CD2' ' A' ' 20' ' ' HIS . . . -83.5 153.26 30.02 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.424 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.3 Cg_endo -75.03 -17.79 19.18 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.516 1.798 . . . . 0.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.482 ' HA ' ' CG2' ' A' ' 47' ' ' THR . 7.1 mt -120.18 -75.82 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.434 HD13 ' N ' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -111.54 132.87 54.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.319 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.622 ' CE1' ' HG3' ' A' ' 15' ' ' LYS . 14.5 m170 -80.25 155.87 27.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.616 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.476 HD13 ' CD2' ' A' ' 43' ' ' LEU . 1.4 mm -125.91 126.7 70.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.41 ' HA ' ' C ' ' A' ' 23' ' ' PRO . 0.0 OUTLIER -134.11 126.05 18.36 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.989 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.41 ' C ' ' HA ' ' A' ' 22' ' ' SER . 18.3 Cg_endo -75.04 -173.42 12.32 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 121.005 -2.498 . . . . 0.0 111.005 0.015 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.75 -81.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.5 ' O ' ' CG ' ' A' ' 132' ' ' ARG . 22.0 mt-10 -143.33 64.23 1.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -162.68 104.6 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.326 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 32.1 mt -102.99 135.5 44.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.319 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.497 ' CE1' ' HB3' ' A' ' 134' ' ' HIS . 1.6 m-85 -130.26 93.19 3.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -76.09 84.56 2.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 161.49 108.21 0.23 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.477 1.111 . . . . 0.0 111.036 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.63 162.62 13.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.415 0.715 . . . . 0.0 110.02 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.406 HG23 ' N ' ' A' ' 33' ' ' GLU . 10.4 tt -54.07 -31.09 20.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.406 ' N ' HG23 ' A' ' 32' ' ' ILE . 2.2 mm-40 -71.18 149.68 46.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 110.302 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.2 m -92.71 30.75 1.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.951 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -92.44 -108.7 1.74 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -100.5 157.95 16.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.427 0.722 . . . . 0.0 110.288 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -115.73 63.24 0.69 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 109.31 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.42 ' HE2' ' CG1' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -115.09 143.15 45.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.468 ' CG2' ' HB ' ' A' ' 82' ' ' VAL . 14.0 t -100.67 143.88 30.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.398 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.478 ' CD1' ' C ' ' A' ' 80' ' ' ILE . 0.6 OUTLIER -117.24 120.32 37.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.471 ' N ' HD11 ' A' ' 40' ' ' LEU . 12.0 mt -90.68 147.63 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.9 t -120.52 131.97 71.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.476 ' CD2' HD13 ' A' ' 21' ' ' ILE . 18.6 mt -121.35 110.6 16.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.7 m -101.17 108.49 20.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.399 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.413 ' OD1' ' OG1' ' A' ' 47' ' ' THR . 48.8 t30 -75.89 97.73 4.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.481 HG13 ' CD2' ' A' ' 20' ' ' HIS . 27.1 m -69.11 -43.67 81.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.482 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 7.5 p -49.02 163.11 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.405 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.25 14.95 29.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.417 ' HB2' ' CD ' ' A' ' 102' ' ' GLU . 77.6 m-20 -130.3 161.29 31.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.404 HG22 ' N ' ' A' ' 51' ' ' VAL . 6.7 mt -61.52 145.62 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.468 ' CG2' ' OE2' ' A' ' 102' ' ' GLU . 80.2 t -135.16 118.12 23.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.543 ' HB1' ' CE2' ' A' ' 117' ' ' PHE . . . -83.65 115.91 22.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.61 ' CE2' HD13 ' A' ' 80' ' ' ILE . 33.4 p90 -111.11 153.52 25.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.506 ' HD2' ' CE2' ' A' ' 118' ' ' TRP . 9.8 mttt -144.3 138.27 27.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.468 ' CG2' HG22 ' A' ' 80' ' ' ILE . 98.7 t -105.56 130.56 56.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.443 ' NH1' ' SD ' ' A' ' 99' ' ' MET . 4.4 mtt180 -132.43 172.5 12.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.4 t -168.85 161.4 10.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.401 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.4 p -72.53 -9.23 58.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.39 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -149.48 74.42 9.67 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -18.56 18.75 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -88.25 11.79 15.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.312 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.7 mtpp -123.49 -43.1 2.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -102.74 130.61 49.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -84.87 102.08 12.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.282 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.457 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 0.7 OUTLIER -108.07 118.93 56.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.514 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.4 OUTLIER -158.71 133.37 5.43 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 66' ' ' LYS . 18.6 Cg_endo -74.93 146.11 85.77 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 120.995 -2.502 . . . . 0.0 111.056 -0.097 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.439 ' HB3' ' O ' ' A' ' 65' ' ' VAL . 6.2 p -111.83 -7.8 14.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.993 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -147.16 98.53 3.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.107 . . . . 0.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.55 -171.02 0.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.005 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.0 t -130.43 170.83 13.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.41 1.069 . . . . 0.0 110.003 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 53.5 t -134.67 115.15 13.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 108.279 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -53.8 160.38 2.15 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.406 ' HB3' ' N ' ' A' ' 49' ' ' ASN . 18.5 Cg_endo -74.94 124.94 9.02 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.512 1.796 . . . . 0.0 111.052 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.01 29.21 26.37 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.477 1.111 . . . . 0.0 110.981 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -142.1 153.89 44.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 109.276 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.7 p -114.48 138.87 50.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.001 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.444 ' CG2' ' HB2' ' A' ' 43' ' ' LEU . 1.0 OUTLIER -104.86 171.11 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -131.18 124.08 29.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.61 HD13 ' CE2' ' A' ' 53' ' ' PHE . 5.0 mm -118.67 111.43 33.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.475 HD13 ' CD2' ' A' ' 40' ' ' LEU . 2.0 mp -82.4 145.53 8.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.482 HG11 ' CZ ' ' A' ' 96' ' ' PHE . 80.3 t -139.45 97.9 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.3 t -118.33 130.6 24.66 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.024 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 170.01 21.35 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.495 1.787 . . . . 0.0 111.02 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -56.9 154.91 8.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.592 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -87.17 44.8 3.33 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.457 1.098 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -154.61 -53.37 0.01 OUTLIER Glycine 0 CA--C 1.529 0.958 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.6 pp -79.48 -165.09 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 0.732 . . . . 0.0 109.313 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.419 ' OG1' ' N ' ' A' ' 90' ' ' VAL . 0.8 OUTLIER -140.77 171.59 13.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.396 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.419 ' N ' ' OG1' ' A' ' 89' ' ' THR . 36.0 t -67.18 122.01 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.15 -162.82 0.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.035 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -119.68 -41.8 2.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.352 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -69.11 -14.79 63.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 18.9 p-10 -63.85 131.5 47.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 96' ' ' PHE . 4.7 tpp180 -135.32 143.11 45.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 110.298 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.482 ' CZ ' HG11 ' A' ' 82' ' ' VAL . 43.9 m-85 -110.99 151.69 27.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 0.0 111.047 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.405 ' CD1' ' HB3' ' A' ' 128' ' ' GLU . 33.1 tp -131.41 145.1 51.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.452 ' CG2' ' CD1' ' A' ' 21' ' ' ILE . 3.1 mt -134.71 123.59 42.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.34 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.443 ' SD ' ' NH1' ' A' ' 56' ' ' ARG . 15.2 mtm -98.47 156.01 16.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 110.965 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -162.42 117.82 1.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -135.94 133.44 37.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.468 ' OE2' ' CG2' ' A' ' 51' ' ' VAL . 0.8 OUTLIER -71.6 127.1 31.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.318 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.57 ' HA ' ' CE1' ' A' ' 117' ' ' PHE . 24.8 mtp -87.91 171.88 10.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 111.048 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 103' ' ' MET . 2.8 mt-10 -60.99 -140.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -80.36 -88.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 23.4 m -99.21 105.17 17.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 109.968 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.63 128.51 33.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.989 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -59.86 -171.86 0.57 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.577 1.173 . . . . 0.0 110.999 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 75.3 p -142.1 53.31 1.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 0.741 . . . . 0.0 110.41 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -111.46 -172.4 19.37 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.458 1.099 . . . . 0.0 110.956 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -14.45 21.24 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -92.52 -72.72 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 112' ' ' ALA . 3.8 mm-40 -38.11 -45.86 0.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.327 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.478 ' CD2' ' HB3' ' A' ' 52' ' ' ALA . 95.7 mt -59.83 -65.69 0.64 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.15 -29.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.002 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.423 ' N ' ' C ' ' A' ' 114' ' ' LEU . 3.0 mm100 -80.14 -53.15 6.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.57 ' CE1' ' HA ' ' A' ' 103' ' ' MET . 19.7 t80 -57.45 -36.73 71.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 0.0 111.001 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . 0.506 ' CE2' ' HD2' ' A' ' 54' ' ' LYS . 52.0 m95 -74.3 -9.35 58.51 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.76 -27.29 14.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.403 ' CG ' ' N ' ' A' ' 121' ' ' VAL . 0.4 OUTLIER -91.16 -42.07 10.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.436 ' CG1' ' O ' ' A' ' 117' ' ' PHE . 8.3 p -69.21 122.28 84.85 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.478 ' HG2' ' CG ' ' A' ' 125' ' ' LYS . 18.2 Cg_endo -74.98 145.48 31.57 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.489 1.784 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.74 -25.62 4.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -68.13 -28.13 67.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.478 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 34.4 mmtt -92.65 -19.75 21.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 50.5 t -75.11 111.33 11.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.349 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' MET . . . . . 0.424 ' SD ' ' HD2' ' A' ' 17' ' ' PRO . 33.6 ttp -87.37 113.84 23.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.968 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.405 ' HB3' ' CD1' ' A' ' 97' ' ' LEU . 19.0 mt-10 -102.16 133.71 46.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.324 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . 0.491 ' CE1' ' CG ' ' A' ' 14' ' ' PHE . 32.2 t60 -129.39 112.03 13.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.647 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 2.6 mtm180 -88.75 131.71 34.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.303 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.59 163.11 12.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.5 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -123.4 157.26 33.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.328 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 34.2 m -108.91 125.05 51.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 108.319 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.497 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 0.5 OUTLIER -92.37 69.97 5.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.597 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 68.5 p -38.72 125.63 1.45 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.374 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 33.9 m -85.98 131.43 34.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.327 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.34 140.17 12.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 44.27 75.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.036 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 2.3 m -76.48 103.68 6.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.991 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 7.4 mttt 178.2 149.27 0.39 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.166 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 61.4 5.71 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.461 1.769 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 9.5 t30 51.9 90.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.345 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 19.8 t 62.38 141.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 110.026 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.4 tp 50.37 -177.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.46 148.2 50.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -167.7 108.65 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.13 128.97 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.004 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -159.3 94.48 0.13 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.508 1.13 . . . . 0.0 110.974 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -177.57 3.56 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.53 1.805 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 5.0 t -71.32 100.93 2.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.015 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.63 170.49 8.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.041 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.528 1.143 . . . . 0.0 111.003 179.976 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.57 116.15 25.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 0.765 . . . . 0.0 110.008 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.8 m -87.27 -58.97 2.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.007 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.8 -139.73 14.63 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.545 1.153 . . . . 0.0 110.992 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 m -128.13 137.75 52.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 0.727 . . . . 0.0 110.014 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 m -91.08 89.13 7.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.006 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.47 174.84 38.19 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.554 1.159 . . . . 0.0 110.98 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.8 tptt -148.84 111.38 4.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 0.756 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.0 155.2 0.65 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 163.39 35.32 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.481 1.779 . . . . 0.0 111.001 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -150.14 147.15 27.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.7 m -126.35 146.88 49.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.962 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.459 HG23 ' CE ' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -130.75 145.4 35.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.444 1.09 . . . . 0.0 109.317 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.685 ' CG ' ' CE1' ' A' ' 129' ' ' HIS . 24.1 t80 -74.12 96.17 2.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.611 ' HG3' ' CE1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -58.84 96.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.454 ' H ' ' CD2' ' A' ' 20' ' ' HIS . . . -87.88 154.69 25.9 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.507 1.129 . . . . 0.0 111.027 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.451 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.3 Cg_endo -74.98 -20.14 17.21 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.492 1.785 . . . . 0.0 111.02 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.45 ' HA ' ' CG2' ' A' ' 47' ' ' THR . 5.4 mt -116.84 -76.06 0.57 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.456 ' CD1' ' HB3' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -113.11 134.59 54.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.611 ' CE1' ' HG3' ' A' ' 15' ' ' LYS . 16.8 m170 -80.08 155.98 27.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.617 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.484 HD13 ' CD2' ' A' ' 43' ' ' LEU . 1.6 mm -127.44 129.66 70.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.453 ' HA ' ' C ' ' A' ' 23' ' ' PRO . 2.4 t -140.03 129.18 13.49 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.01 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.453 ' C ' ' HA ' ' A' ' 22' ' ' SER . 18.3 Cg_endo -74.99 -178.24 22.89 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.022 0.046 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.65 -88.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.501 ' O ' ' CG ' ' A' ' 132' ' ' ARG . 16.2 mt-10 -135.5 63.36 1.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' A' ' 23' ' ' PRO . 1.9 pt-20 -163.08 103.17 0.99 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.324 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.412 ' N ' ' O ' ' A' ' 132' ' ' ARG . 10.1 mt -101.17 125.33 47.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' A' ' 28' ' ' TYR . 20.5 m-85 -104.33 91.32 3.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.488 ' CD2' HG23 ' A' ' 90' ' ' VAL . 38.8 m-85 -86.33 85.61 7.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 146.75 78.69 0.03 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.522 1.138 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 32' ' ' ILE . 20.8 t -62.14 164.15 7.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 0.775 . . . . 0.0 109.959 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 31' ' ' SER . 2.1 mp -39.84 148.6 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 75.11 -163.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.267 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.5 m -121.65 30.24 6.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.01 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.403 ' O ' ' CB ' ' A' ' 36' ' ' GLU . . . -126.61 115.31 2.21 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.463 1.102 . . . . 0.0 111.042 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.403 ' CB ' ' O ' ' A' ' 35' ' ' GLY . 2.0 tt0 78.67 127.57 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.75 . . . . 0.0 110.34 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -142.54 53.55 1.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.261 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.41 ' HE2' ' CG1' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -111.72 145.89 38.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.432 ' CG2' ' HB ' ' A' ' 82' ' ' VAL . 13.2 t -109.98 138.73 45.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.406 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.477 ' CD2' HD11 ' A' ' 81' ' ' ILE . 0.7 OUTLIER -114.62 118.37 33.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.297 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.44 ' N ' HD13 ' A' ' 40' ' ' LEU . 48.8 mt -91.84 147.07 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.426 ' N ' HG21 ' A' ' 41' ' ' ILE . 2.2 t -121.13 133.69 66.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.484 ' CD2' HD13 ' A' ' 21' ' ' ILE . 17.6 mt -120.03 110.57 16.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.75 106.5 17.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.402 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -75.38 111.7 10.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.3 m -85.22 -38.9 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.45 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 1.4 p -51.56 155.81 1.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.385 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.03 28.28 3.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 50' ' ' ILE . 14.5 m-80 -148.64 136.55 20.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 49' ' ' ASN . 22.2 mt -39.39 145.86 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.413 ' CG2' ' HA ' ' A' ' 102' ' ' GLU . 63.5 t -137.87 130.92 41.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.563 ' HB2' ' CE2' ' A' ' 117' ' ' PHE . . . -87.78 124.85 34.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.579 ' CE1' HD13 ' A' ' 80' ' ' ILE . 26.7 p90 -116.26 160.61 20.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.539 ' HD2' ' CD1' ' A' ' 118' ' ' TRP . 4.4 mttm -151.87 158.66 43.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.09 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.477 ' HB ' ' CG1' ' A' ' 65' ' ' VAL . 36.7 t -135.0 123.42 40.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.485 ' CD ' ' SD ' ' A' ' 99' ' ' MET . 0.0 OUTLIER -129.8 173.02 11.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.276 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.43 ' OG1' ' N ' ' A' ' 58' ' ' THR . 0.7 OUTLIER -164.94 171.95 13.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 110.413 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.43 ' N ' ' OG1' ' A' ' 57' ' ' THR . 21.7 p -81.52 5.06 19.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.372 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.523 ' HB1' ' CE2' ' A' ' 63' ' ' TYR . . . -149.19 76.84 9.27 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -15.67 20.57 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.548 1.815 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.431 ' O ' ' NE2' ' A' ' 85' ' ' HIS . 14.5 pt-20 -105.84 20.3 19.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 110.305 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.524 ' HA ' ' CD2' ' A' ' 85' ' ' HIS . 7.9 mtpt -125.09 -43.66 1.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.523 ' CE2' ' HB1' ' A' ' 59' ' ' ALA . 35.7 m-85 -109.56 137.75 46.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.9 106.93 18.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.477 ' CG1' ' HB ' ' A' ' 55' ' ' VAL . 50.5 t -101.48 122.02 53.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.489 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.0 OUTLIER -163.06 129.07 2.28 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.489 ' C ' ' HA ' ' A' ' 66' ' ' LYS . 18.3 Cg_endo -75.02 137.04 48.07 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 120.935 -2.527 . . . . 0.0 110.999 0.02 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 90.5 p -112.82 36.04 3.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.999 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 171.33 103.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 176.43 -160.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.054 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.67 162.64 34.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.968 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 42.2 t -123.8 115.55 21.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 108.261 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -51.13 160.59 0.85 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 134.77 18.18 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.539 1.81 . . . . 0.0 110.966 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.57 33.32 60.99 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.554 1.159 . . . . 0.0 110.993 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -136.21 -179.16 5.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.596 0.821 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.5 p -141.45 132.84 26.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.995 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.426 ' CG2' ' HB2' ' A' ' 43' ' ' LEU . 1.2 tt -105.1 169.67 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.448 ' OD2' ' CD1' ' A' ' 81' ' ' ILE . 1.8 p-10 -130.32 121.04 25.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.579 HD13 ' CE1' ' A' ' 53' ' ' PHE . 5.3 mm -115.87 104.26 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.477 HD11 ' CD2' ' A' ' 40' ' ' LEU . 2.2 mp -77.46 142.46 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.571 HG13 ' CZ ' ' A' ' 96' ' ' PHE . 54.2 t -139.93 104.6 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.339 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.6 t -124.2 132.16 24.27 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.985 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.46 ' O ' ' N ' ' A' ' 86' ' ' GLY . 18.4 Cg_endo -74.98 107.39 2.47 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.475 1.776 . . . . 0.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.524 ' CD2' ' HA ' ' A' ' 62' ' ' LYS . 11.1 m-70 38.09 -97.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.606 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 84' ' ' PRO . . . -108.76 -59.49 0.54 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.54 1.15 . . . . 0.0 111.029 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -167.63 39.66 0.23 Allowed Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.425 ' CD1' ' O ' ' A' ' 89' ' ' THR . 4.1 pp -83.74 163.96 19.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 0.743 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.425 ' O ' ' CD1' ' A' ' 88' ' ' LEU . 1.2 t -76.19 161.2 29.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 110.383 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.488 HG23 ' CD2' ' A' ' 29' ' ' PHE . 2.2 m -118.84 0.53 7.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.0 m 44.72 -165.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.023 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -118.34 21.84 12.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -106.54 -26.27 11.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.485 ' OD2' ' CE2' ' A' ' 63' ' ' TYR . 24.5 t0 -70.98 152.96 43.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.67 151.83 44.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 110.292 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.571 ' CZ ' HG13 ' A' ' 82' ' ' VAL . 20.0 m-85 -117.21 153.84 32.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.999 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -135.38 136.85 41.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.433 ' CG2' HD12 ' A' ' 21' ' ' ILE . 4.2 mt -130.79 128.9 63.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.485 ' SD ' ' CD ' ' A' ' 56' ' ' ARG . 1.9 mtp -106.69 155.79 19.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -160.71 120.92 2.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.249 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -131.88 134.86 46.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.413 ' HA ' ' CG2' ' A' ' 51' ' ' VAL . 1.2 tt0 -68.47 116.11 8.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 110.327 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.579 ' HG3' ' CZ ' ' A' ' 117' ' ' PHE . 11.3 mtp -88.29 172.17 9.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -61.18 -139.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -102.3 -42.78 5.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.251 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.76 156.56 17.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.007 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 20.1 p -179.25 162.48 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.971 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -114.68 -7.13 18.46 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.491 1.12 . . . . 0.0 110.962 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.514 ' HA ' ' CD2' ' A' ' 114' ' ' LEU . 69.6 p 46.16 29.69 0.85 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 0.766 . . . . 0.0 110.398 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.6 ' O ' HD23 ' A' ' 114' ' ' LEU . . . -78.14 -169.79 35.08 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.491 1.119 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -26.82 10.59 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.454 1.765 . . . . 0.0 111.016 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.487 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -92.73 -59.54 2.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.487 ' C ' ' O ' ' A' ' 112' ' ' ALA . 2.3 mm-40 -32.42 -38.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.343 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.6 HD23 ' O ' ' A' ' 110' ' ' GLY . 3.1 mm? -75.53 -70.91 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.06 -30.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.979 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 114' ' ' LEU . 4.0 mm100 -78.71 -51.92 9.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 110.283 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.579 ' CZ ' ' HG3' ' A' ' 103' ' ' MET . 76.4 t80 -59.21 -31.03 68.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . 0.539 ' CD1' ' HD2' ' A' ' 54' ' ' LYS . 87.2 m95 -78.8 -12.42 60.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 108.005 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.15 -23.22 18.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -93.53 -42.73 9.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.31 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.511 ' CG1' ' O ' ' A' ' 117' ' ' PHE . 14.6 p -69.49 125.45 91.98 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.475 ' HG2' ' CG ' ' A' ' 125' ' ' LYS . 18.3 Cg_endo -74.99 151.09 39.13 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.477 1.777 . . . . 0.0 111.028 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.05 -18.76 5.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.267 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -77.29 -21.2 53.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.475 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 26.8 mmtt -103.07 -16.46 15.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.463 ' CG2' HG12 ' A' ' 121' ' ' VAL . 54.9 t -79.54 113.79 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' MET . . . . . 0.451 ' SD ' ' HD2' ' A' ' 17' ' ' PRO . 29.9 ttp -84.79 100.48 11.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -90.22 132.1 35.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 110.312 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . 0.685 ' CE1' ' CG ' ' A' ' 14' ' ' PHE . 72.6 t60 -131.33 111.86 12.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.596 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.66 141.88 29.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.431 HD12 ' CD1' ' A' ' 98' ' ' ILE . 0.3 OUTLIER -117.13 157.1 26.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.501 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 0.7 OUTLIER -128.22 156.39 43.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 14.6 t -88.83 150.13 23.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 108.282 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.05 80.67 1.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.613 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.1 t -161.73 -162.68 0.89 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.384 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 13.3 p -138.06 146.49 26.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.82 -63.37 1.14 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 3.2 t 69.6 166.72 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 110.015 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.74 149.5 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.974 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -162.02 145.39 9.18 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.28 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -176.88 3.11 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.523 1.801 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 22.2 t30 -131.64 -52.53 1.0 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 3.0 m 58.34 159.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 109.997 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -172.15 168.73 5.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 4.1 ttt -154.88 161.33 41.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 111.049 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . 0.408 ' N ' HD12 ' A' ' 146' ' ' LEU . 0.0 OUTLIER -152.24 145.47 24.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.332 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.63 174.13 12.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.986 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -177.78 78.46 0.07 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.546 1.154 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 177.92 7.94 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.498 1.788 . . . . 0.0 111.005 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 46.7 m -166.28 165.07 17.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.986 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 7.2 t -138.06 -59.08 0.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.992 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.523 1.139 . . . . 0.0 110.971 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.04 94.85 2.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 109.987 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 p -158.01 159.98 36.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.958 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.87 163.7 31.59 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.452 1.095 . . . . 0.0 110.994 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.7 154.62 39.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 0.752 . . . . 0.0 109.945 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.08 134.59 29.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.039 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.92 -129.13 5.65 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.69 154.49 3.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 0.753 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.16 157.47 66.61 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -177.86 3.75 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.467 1.772 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -43.89 129.29 5.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.282 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.1 m -154.85 153.68 31.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 110.016 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -125.43 143.17 39.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.753 ' CG ' ' CE1' ' A' ' 129' ' ' HIS . 20.3 t80 -73.43 96.01 2.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.961 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.617 ' HG3' ' CE1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -57.2 93.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 109.334 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.446 ' H ' ' CD2' ' A' ' 20' ' ' HIS . . . -84.74 155.49 30.57 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.436 1.085 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.41 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.2 Cg_endo -75.0 -18.96 18.3 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.472 1.775 . . . . 0.0 111.03 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.458 ' HA ' ' CG2' ' A' ' 47' ' ' THR . 2.7 mt -120.67 -76.43 0.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.489 ' CD1' ' HB3' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -110.52 133.0 53.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.617 ' CE1' ' HG3' ' A' ' 15' ' ' LYS . 17.8 m170 -79.69 156.31 27.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.573 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.481 HD12 ' CG2' ' A' ' 98' ' ' ILE . 3.0 mm -127.43 127.68 69.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.242 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.456 ' HA ' ' C ' ' A' ' 23' ' ' PRO . 0.5 OUTLIER -138.48 128.61 15.0 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.973 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.456 ' C ' ' HA ' ' A' ' 22' ' ' SER . 18.4 Cg_endo -75.04 178.66 33.74 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 120.964 -2.515 . . . . 0.0 110.982 -0.026 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.98 -85.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.467 ' HA ' ' CD2' ' A' ' 131' ' ' LEU . 12.4 mt-10 -141.92 63.48 1.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 23' ' ' PRO . 0.3 OUTLIER -162.58 103.47 1.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 132' ' ' ARG . 13.5 mt -101.48 127.1 48.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.435 ' CD1' ' N ' ' A' ' 28' ' ' TYR . 16.4 m-85 -105.72 93.44 4.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.09 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.437 ' CD2' HG12 ' A' ' 90' ' ' VAL . 54.3 m-85 -82.24 96.29 7.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 148.37 90.02 0.08 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.571 1.17 . . . . 0.0 110.963 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 64.9 m -113.59 162.05 16.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 0.0 110.027 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mt -113.14 -58.6 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -49.76 -46.73 50.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.251 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.0 p -78.6 -25.69 45.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.001 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.08 -92.92 1.74 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -44.66 145.97 0.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.782 . . . . 0.0 110.263 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.6 mtmm -84.98 58.77 5.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.355 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.46 ' HD2' ' CG2' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -115.48 145.36 42.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.47 ' CG2' ' HB ' ' A' ' 82' ' ' VAL . 10.2 t -107.16 146.72 30.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.379 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.471 ' CD2' HD12 ' A' ' 81' ' ' ILE . 0.6 OUTLIER -118.21 117.43 29.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.454 ' N ' HD13 ' A' ' 40' ' ' LEU . 6.4 mt -90.98 149.96 3.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 t -124.33 136.03 61.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.489 ' HB3' ' CD1' ' A' ' 19' ' ' LEU . 8.4 mt -120.45 108.57 14.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.99 112.11 23.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.409 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 43.5 t-20 -79.76 108.93 13.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.404 HG13 ' NE2' ' A' ' 20' ' ' HIS . 13.6 m -86.17 -39.57 13.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.552 1.158 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.458 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 1.7 p -51.26 158.91 0.73 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.424 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -97.57 25.89 5.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 50' ' ' ILE . 6.8 m-80 -148.76 138.13 21.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.412 ' C ' ' O ' ' A' ' 49' ' ' ASN . 10.3 mt -39.37 149.25 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.4 t -137.75 128.03 36.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -90.54 126.37 35.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.592 ' CE2' HD13 ' A' ' 80' ' ' ILE . 47.9 p90 -121.45 162.06 21.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.986 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.537 ' HE3' ' CD1' ' A' ' 118' ' ' TRP . 12.9 mttm -150.5 149.93 30.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 79.0 t -113.89 115.31 49.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 109.253 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -122.7 136.87 55.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.328 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.9 t -134.04 169.51 17.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.402 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.1 p -88.5 22.42 2.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.429 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -174.86 73.33 0.3 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -17.84 19.35 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.509 1.794 . . . . 0.0 111.025 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -92.37 21.27 5.39 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.564 1.165 . . . . 0.0 110.29 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.2 mtpt -136.09 -46.43 0.64 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 109.288 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.42 ' OH ' ' CG ' ' A' ' 94' ' ' ASP . 30.7 m-85 -102.25 133.84 46.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.8 112.67 24.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 0.6 OUTLIER -116.53 116.12 51.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.455 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.0 OUTLIER -151.95 127.17 4.8 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.455 ' C ' ' HA ' ' A' ' 66' ' ' LYS . 18.3 Cg_endo -75.0 155.65 99.96 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 121.011 -2.495 . . . . 0.0 111.041 -0.002 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.447 ' CB ' ' CG2' ' A' ' 65' ' ' VAL . 26.1 p -113.37 -18.57 12.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.127 . . . . 0.0 109.981 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -143.58 99.65 3.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.55 ' HB2' ' CZ ' ' A' ' 53' ' ' PHE . 69.6 m -161.99 -177.66 5.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 110.031 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.71 158.26 33.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.964 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 42.6 t -123.31 118.09 26.75 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.492 1.12 . . . . 0.0 108.275 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -55.47 161.25 3.08 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 133.94 17.33 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.486 1.782 . . . . 0.0 111.023 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.1 32.2 56.59 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -140.39 177.83 7.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.8 p -138.83 137.29 36.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.165 . . . . 0.0 109.977 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.476 ' CG2' HD11 ' A' ' 43' ' ' LEU . 1.1 tt -105.06 168.89 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.425 1.078 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.438 ' OD2' ' CD1' ' A' ' 81' ' ' ILE . 1.4 p-10 -127.25 123.19 35.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.592 HD13 ' CE2' ' A' ' 53' ' ' PHE . 6.3 mm -118.44 105.85 18.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.358 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.471 HD12 ' CD2' ' A' ' 40' ' ' LEU . 2.2 mp -79.06 141.77 14.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.251 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.576 HG13 ' CE1' ' A' ' 96' ' ' PHE . 93.0 t -136.82 98.86 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.339 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -111.53 120.19 43.22 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.006 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 162.88 36.49 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.509 1.794 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -54.94 163.65 0.97 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.552 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -96.54 78.89 0.73 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 155.96 -70.16 0.28 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.522 ' O ' ' CG2' ' A' ' 89' ' ' THR . 1.9 pp -64.3 -28.71 69.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 0.782 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.522 ' CG2' ' O ' ' A' ' 88' ' ' LEU . 2.1 t 46.45 -176.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.393 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.507 ' N ' ' OG1' ' A' ' 89' ' ' THR . 2.5 p -75.52 123.09 30.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.256 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.408 ' N ' ' OD2' ' A' ' 94' ' ' ASP . 52.4 m -66.0 -86.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 110.038 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 178.4 -39.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.251 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -82.18 -8.57 59.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.436 ' OD2' ' CG2' ' A' ' 90' ' ' VAL . 1.6 m-20 -54.51 141.09 32.4 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 5.0 tpp180 -130.67 137.84 49.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.576 ' CE1' HG13 ' A' ' 82' ' ' VAL . 18.5 m-85 -114.85 105.05 12.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 56' ' ' ARG . 51.1 tp -83.98 148.2 27.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.481 ' CG2' HD12 ' A' ' 21' ' ' ILE . 2.8 mt -137.63 115.83 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 15.2 mtp -88.19 152.51 21.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -161.29 117.69 2.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -133.09 135.35 45.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 109.285 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.18 124.37 23.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.565 ' HG2' ' CE2' ' A' ' 117' ' ' PHE . 0.0 OUTLIER -90.07 172.14 9.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.09 . . . . 0.0 111.018 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -72.08 -143.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.26 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -70.72 -162.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.1 m -53.14 104.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.984 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.2 m -127.18 154.72 44.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.01 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -76.94 140.08 24.39 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 76.9 p -94.65 31.84 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.434 0.726 . . . . 0.0 110.39 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -74.84 -178.07 40.34 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.457 1.098 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -14.28 21.17 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.453 1.765 . . . . 0.0 111.015 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -90.43 -72.98 0.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 112' ' ' ALA . 2.5 mm-40 -36.73 -46.38 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.282 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.406 ' C ' ' N ' ' A' ' 116' ' ' GLN . 70.6 mt -60.59 -64.04 1.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -43.79 -26.42 0.25 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 109.963 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.406 ' N ' ' C ' ' A' ' 114' ' ' LEU . 1.1 tt0 -81.39 -54.24 5.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.565 ' CE2' ' HG2' ' A' ' 103' ' ' MET . 19.0 t80 -56.88 -32.74 66.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 111.011 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . 0.537 ' CD1' ' HE3' ' A' ' 54' ' ' LYS . 85.4 m95 -76.98 -12.16 59.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 108.002 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.45 -26.7 15.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.409 ' CG ' ' N ' ' A' ' 121' ' ' VAL . 0.4 OUTLIER -91.52 -42.64 10.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.302 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.499 ' CG1' ' O ' ' A' ' 117' ' ' PHE . 9.1 p -69.36 121.56 82.53 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 109.342 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.499 ' HG2' ' CG ' ' A' ' 125' ' ' LYS . 18.3 Cg_endo -75.0 155.73 42.93 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.522 1.801 . . . . 0.0 111.023 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.89 -28.92 66.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 110.321 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -66.09 -30.02 70.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.265 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.499 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 36.6 mmtt -90.39 -19.81 23.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 50.2 t -75.01 123.38 30.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' MET . . . . . 0.41 ' SD ' ' HD2' ' A' ' 17' ' ' PRO . 37.7 ttp -93.59 118.15 31.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -104.89 126.89 52.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.276 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . 0.753 ' CE1' ' CG ' ' A' ' 14' ' ' PHE . 41.4 t60 -126.13 112.19 15.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.61 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 -87.53 127.83 35.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.254 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.467 ' CD2' ' HA ' ' A' ' 25' ' ' GLU . 0.4 OUTLIER -104.45 149.96 24.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.443 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -125.43 153.51 43.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 110.288 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 19.8 p -84.44 161.41 20.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 108.326 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -124.38 71.91 1.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.593 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 43.3 p -55.63 130.65 43.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.387 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.406 HG13 ' N ' ' A' ' 137' ' ' GLU . 73.7 t -137.95 144.07 31.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.406 ' N ' HG13 ' A' ' 136' ' ' VAL . 3.0 tm-20 -70.5 134.77 48.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.243 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 15.7 t -77.79 154.4 31.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.544 1.153 . . . . 0.0 110.013 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 88.2 p -109.83 69.59 0.7 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.142 . . . . 0.0 110.021 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . 0.409 ' HA ' ' HD3' ' A' ' 141' ' ' PRO . 0.1 OUTLIER -139.63 128.49 13.62 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 140' ' ' LYS . 18.3 Cg_endo -74.99 73.54 4.28 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.529 1.805 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -156.94 -61.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 3.2 t -101.77 174.95 5.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 110.002 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.6 pp -167.87 135.13 2.22 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.115 . . . . 0.0 109.26 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -166.47 86.61 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.578 1.174 . . . . 0.0 111.014 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -47.02 -61.92 1.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 74.6 m 63.87 101.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.127 . . . . 0.0 110.016 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -42.42 121.56 2.8 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 164.07 34.12 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.506 1.792 . . . . 0.0 111.016 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 6.9 t -114.76 145.07 42.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.041 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 1.1 m -93.91 81.94 4.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.115 . . . . 0.0 110.027 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.469 1.106 . . . . 0.0 110.993 -179.986 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 62.38 151.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 0.76 . . . . 0.0 110.043 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.3 p -176.67 91.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.964 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.27 -65.13 2.68 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.69 145.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 0.743 . . . . 0.0 110.023 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.1 m -154.92 89.57 1.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.996 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.76 -137.37 2.46 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.481 1.113 . . . . 0.0 111.019 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.22 70.58 0.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 0.774 . . . . 0.0 109.296 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.7 mtmm 63.73 154.87 0.12 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 0.0 109.266 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 120.06 5.93 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.555 1.818 . . . . 0.0 111.003 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -125.93 67.89 1.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.2 m -89.14 152.4 21.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.995 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.449 HG21 ' CE ' ' A' ' 15' ' ' LYS . 0.8 OUTLIER -124.8 146.86 29.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.25 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.704 ' CG ' ' CE1' ' A' ' 129' ' ' HIS . 23.6 t80 -74.2 96.64 2.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.961 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.598 ' HG3' ' CE1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -58.67 95.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.461 ' H ' ' CD2' ' A' ' 20' ' ' HIS . . . -88.91 152.56 23.04 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.44 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.3 Cg_endo -75.02 -18.31 18.79 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.496 1.788 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.483 ' HA ' ' CG2' ' A' ' 47' ' ' THR . 10.8 mt -116.64 -76.34 0.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.445 ' CD1' ' HB3' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -114.61 134.64 54.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.598 ' CE1' ' HG3' ' A' ' 15' ' ' LYS . 13.1 m170 -79.82 156.28 27.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.6 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.454 HD12 ' CD2' ' A' ' 43' ' ' LEU . 1.4 mm -128.09 123.7 61.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.408 ' HA ' ' C ' ' A' ' 23' ' ' PRO . 0.1 OUTLIER -133.14 126.98 19.81 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.005 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.408 ' C ' ' HA ' ' A' ' 22' ' ' SER . 18.2 Cg_endo -75.03 -179.85 28.15 Favored 'Cis proline' 0 C--N 1.359 1.118 0 C-N-CA 121.005 -2.498 . . . . 0.0 110.979 0.008 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.55 -85.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.416 ' HA ' ' CD2' ' A' ' 131' ' ' LEU . 0.0 OUTLIER -143.35 59.54 1.4 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -162.17 105.03 1.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.326 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.411 ' CD1' ' CD2' ' A' ' 96' ' ' PHE . 36.6 mt -99.66 142.74 30.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.548 ' CD1' ' HB3' ' A' ' 134' ' ' HIS . 1.5 m-85 -130.32 91.78 3.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.514 ' CE1' HG23 ' A' ' 39' ' ' THR . 22.2 m-85 -76.62 -178.08 4.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 110.978 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.434 ' CA ' ' HB2' ' A' ' 37' ' ' LYS . . . -77.39 125.59 7.41 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.9 t -74.79 153.94 38.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 0.77 . . . . 0.0 110.007 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.42 ' O ' ' N ' ' A' ' 34' ' ' SER . 0.9 OUTLIER -54.3 -177.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 68.27 -66.26 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 32' ' ' ILE . 0.2 OUTLIER -74.02 -5.16 39.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.426 1.079 . . . . 0.0 109.976 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.58 142.05 8.95 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.41 150.25 40.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 0.776 . . . . 0.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.434 ' HB2' ' CA ' ' A' ' 30' ' ' GLY . 0.3 OUTLIER -123.92 -173.94 2.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 109.29 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.426 ' CB ' ' HB2' ' A' ' 83' ' ' SER . 0.0 OUTLIER -123.64 141.51 51.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.514 HG23 ' CE1' ' A' ' 29' ' ' PHE . 14.5 t -103.81 132.81 49.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.374 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.473 HD13 ' N ' ' A' ' 41' ' ' ILE . 2.8 tp -112.89 120.96 43.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.338 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.473 ' N ' HD13 ' A' ' 40' ' ' LEU . 16.0 mt -89.84 148.59 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.438 ' N ' HG22 ' A' ' 41' ' ' ILE . 20.7 t -116.09 133.74 61.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.473 ' HB2' ' CG2' ' A' ' 78' ' ' ILE . 29.9 mt -122.89 107.5 11.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.81 105.1 16.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.426 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -69.95 110.7 5.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.498 HG11 ' CE1' ' A' ' 20' ' ' HIS . 13.1 m -99.93 36.72 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.483 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 1.6 p -119.49 165.9 13.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.408 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.34 20.38 11.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -154.15 156.13 36.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.357 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.432 ' CD1' ' OG ' ' A' ' 107' ' ' SER . 45.2 mt -56.09 148.58 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.448 ' CG2' ' HA ' ' A' ' 102' ' ' GLU . 54.9 t -136.27 121.82 28.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.408 ' HB2' ' CD2' ' A' ' 114' ' ' LEU . . . -78.85 122.0 25.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.587 ' CE1' HD12 ' A' ' 80' ' ' ILE . 31.8 p90 -113.46 150.56 32.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.583 ' HG3' ' CZ2' ' A' ' 118' ' ' TRP . 7.3 mttt -144.2 126.88 16.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.478 ' CG1' HG13 ' A' ' 65' ' ' VAL . 48.8 t -105.63 120.16 55.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.493 ' CD ' ' SD ' ' A' ' 99' ' ' MET . 0.0 OUTLIER -124.52 172.58 9.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.329 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.0 t -159.83 171.27 19.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.42 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.9 p -87.38 20.56 2.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.392 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -168.91 74.1 0.76 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -16.84 19.94 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.525 1.802 . . . . 0.0 110.966 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -95.9 28.25 3.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.311 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.2 mtpm? -141.83 -48.87 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.403 ' CE2' ' CG ' ' A' ' 94' ' ' ASP . 40.1 m-85 -101.85 125.93 48.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.957 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.49 105.05 17.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.478 HG13 ' CG1' ' A' ' 55' ' ' VAL . 9.6 t -100.85 128.47 52.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.502 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.3 OUTLIER -162.53 131.73 3.11 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 66' ' ' LYS . 18.2 Cg_endo -75.0 132.91 29.16 Favored 'Cis proline' 0 C--N 1.361 1.185 0 C-N-CA 120.941 -2.525 . . . . 0.0 111.006 -0.075 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.432 ' N ' ' HA ' ' A' ' 66' ' ' LYS . 82.0 p -113.02 41.11 2.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.03 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.8 t30 169.01 78.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.46 -165.44 1.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.01 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 86.2 p -137.52 151.64 48.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.02 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 50.9 t -111.59 121.66 45.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 108.312 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.78 162.19 17.79 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.258 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 145.58 31.74 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.519 1.799 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 65.69 30.43 77.29 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.439 1.087 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -141.43 -179.72 6.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 0.744 . . . . 0.0 109.331 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.3 p -143.15 136.47 28.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.016 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.473 ' CG2' ' HB2' ' A' ' 43' ' ' LEU . 1.3 tt -105.29 171.38 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -131.92 119.25 20.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.587 HD12 ' CE1' ' A' ' 53' ' ' PHE . 7.3 mm -110.83 97.04 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.421 HG23 ' N ' ' A' ' 82' ' ' VAL . 3.2 mp -71.35 140.58 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.469 HG12 ' CZ ' ' A' ' 96' ' ' PHE . 53.4 t -133.87 121.18 38.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.426 ' HB2' ' CB ' ' A' ' 38' ' ' LYS . 10.3 t -146.23 139.37 14.43 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.049 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 171.58 18.04 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.437 1.756 . . . . 0.0 110.979 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -80.19 177.3 9.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.611 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -93.09 50.61 2.48 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.457 1.098 . . . . 0.0 110.979 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -178.11 36.56 0.08 OUTLIER Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -175.15 -177.27 1.03 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 0.787 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.8 t -145.54 171.87 14.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.123 . . . . 0.0 110.378 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.511 HG13 ' CD2' ' A' ' 29' ' ' PHE . 2.6 p -95.15 114.12 31.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.8 m -79.64 -175.56 4.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.964 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.424 ' CB ' ' HA ' ' A' ' 138' ' ' SER . . . -91.95 -22.09 20.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.355 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -80.9 -32.95 34.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.316 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.403 ' CG ' ' CE2' ' A' ' 63' ' ' TYR . 4.2 t0 -48.15 108.05 0.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.01 149.75 23.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.271 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.469 ' CZ ' HG12 ' A' ' 82' ' ' VAL . 9.4 m-85 -113.5 151.01 32.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.456 1.097 . . . . 0.0 111.033 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.418 HD12 ' N ' ' A' ' 98' ' ' ILE . 3.3 tm? -131.96 138.87 48.48 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.418 ' N ' HD12 ' A' ' 97' ' ' LEU . 3.4 mt -134.73 126.96 48.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.504 ' HE1' ' CZ3' ' A' ' 118' ' ' TRP . 11.9 mtp -104.89 155.65 18.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.404 ' O ' ' HB3' ' A' ' 127' ' ' MET . . . -161.29 118.95 2.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 117' ' ' PHE . . . -132.09 131.93 42.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.448 ' HA ' ' CG2' ' A' ' 51' ' ' VAL . 1.2 tt0 -69.27 114.56 7.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.588 ' HG2' ' CE1' ' A' ' 117' ' ' PHE . 0.0 OUTLIER -86.66 172.31 10.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 111.007 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -71.14 -143.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -90.85 -76.12 0.45 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.343 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.72 104.13 1.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.16 . . . . 0.0 110.02 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.47 ' HB2' ' CE ' ' A' ' 103' ' ' MET . 28.9 p -118.19 125.29 49.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.024 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 109' ' ' THR . . . -86.47 -9.44 75.64 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.455 1.097 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 108' ' ' GLY . 30.4 p 36.44 58.45 1.03 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 0.787 . . . . 0.0 110.407 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -123.05 -161.88 11.33 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -47.68 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.456 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -74.85 -63.63 1.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 112' ' ' ALA . 0.3 OUTLIER -34.78 -54.26 0.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 110.287 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 117' ' ' PHE . 77.7 mt -59.66 -62.05 2.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.508 ' O ' ' CG ' ' A' ' 119' ' ' LYS . 0.6 OUTLIER -46.77 -35.36 6.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.967 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.521 ' HA ' ' CG ' ' A' ' 119' ' ' LYS . 2.3 mt-30 -72.21 -32.9 67.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.588 ' CE1' ' HG2' ' A' ' 103' ' ' MET . 18.1 t80 -85.21 -25.88 27.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . 0.583 ' CZ2' ' HG3' ' A' ' 54' ' ' LYS . 59.9 m95 -84.81 -23.0 29.3 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.521 ' CG ' ' HA ' ' A' ' 116' ' ' GLN . 0.0 OUTLIER -88.52 -26.5 21.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.408 ' CG ' ' HD2' ' A' ' 119' ' ' LYS . 2.1 mt-10 -88.52 -37.39 15.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.519 ' CG1' ' O ' ' A' ' 117' ' ' PHE . 9.1 p -69.28 124.8 91.21 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.476 ' HG2' ' CG ' ' A' ' 125' ' ' LYS . 18.3 Cg_endo -75.01 153.31 41.65 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.453 1.765 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -16.97 10.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 110.284 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -79.16 -21.09 46.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.476 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 20.4 mmtt -103.94 -12.4 16.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 25.4 t -79.11 104.95 7.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' MET . . . . . 0.44 ' SD ' ' HD2' ' A' ' 17' ' ' PRO . 27.5 ttp -80.21 102.0 9.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -100.82 127.42 47.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . 0.704 ' CE1' ' CG ' ' A' ' 14' ' ' PHE . 75.9 t60 -128.23 111.64 13.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.649 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.05 141.1 33.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.416 ' CD2' ' HA ' ' A' ' 25' ' ' GLU . 0.3 OUTLIER -116.17 147.11 41.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -96.84 162.87 13.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.36 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 96.7 m -119.0 114.71 22.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 108.259 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.548 ' HB3' ' CD1' ' A' ' 28' ' ' TYR . 0.4 OUTLIER -94.8 101.48 13.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.617 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' THR . . . . . 0.425 ' OG1' ' N ' ' A' ' 136' ' ' VAL . 0.7 OUTLIER -140.18 172.31 12.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.368 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.425 ' N ' ' OG1' ' A' ' 135' ' ' THR . 34.2 m -62.69 -176.7 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 69.67 -73.54 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' SER . . . . . 0.424 ' HA ' ' CB ' ' A' ' 92' ' ' ALA . 70.1 m 62.66 169.33 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.011 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 53.9 p -53.48 175.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.005 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 4.1 mttp 62.52 110.74 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 177.89 7.98 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.478 1.778 . . . . 0.0 111.058 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -40.81 159.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.02 -58.45 6.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.11 . . . . 0.0 109.986 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.8 pp -143.4 173.42 11.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.5 ttm -172.41 127.13 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 111.002 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.48 -65.53 1.0 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 4.7 t 40.32 91.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.0 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 174.17 145.32 5.17 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.474 1.109 . . . . 0.0 110.986 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -59.0 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.469 1.773 . . . . 0.0 110.997 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 32.6 t 66.57 116.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.975 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 85.5 p -144.45 153.41 41.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.008 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.6 m -92.79 83.58 4.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 0.738 . . . . 0.0 110.019 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 t -114.6 147.44 39.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.98 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.93 127.36 5.51 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.56 1.162 . . . . 0.0 110.994 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.42 126.38 23.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 0.755 . . . . 0.0 110.016 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.6 p -145.7 112.52 5.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.007 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.83 159.97 22.85 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.53 1.143 . . . . 0.0 110.948 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -86.37 131.79 34.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 0.757 . . . . 0.0 109.331 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.09 151.35 12.96 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.356 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 119.66 5.74 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.503 1.791 . . . . 0.0 110.978 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.67 91.13 8.27 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.4 m -75.11 152.61 38.52 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.988 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.46 HG23 ' CE ' ' A' ' 15' ' ' LYS . 0.6 OUTLIER -130.25 143.88 39.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.268 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -73.82 96.47 2.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 0.0 111.02 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.609 ' HG3' ' CE1' ' A' ' 20' ' ' HIS . 0.1 OUTLIER -57.54 100.21 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.458 ' H ' ' CD2' ' A' ' 20' ' ' HIS . . . -89.75 154.57 24.05 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.411 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.3 Cg_endo -75.0 -20.91 16.39 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.489 1.784 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.455 ' HA ' ' CG2' ' A' ' 47' ' ' THR . 8.4 mt -117.87 -75.63 0.58 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.476 ' CD1' ' HB3' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -111.21 134.7 52.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.609 ' CE1' ' HG3' ' A' ' 15' ' ' LYS . 10.9 m170 -79.75 157.39 27.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.587 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.466 HD13 ' CD2' ' A' ' 43' ' ' LEU . 1.4 mm -126.94 124.82 65.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.155 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.404 ' HA ' ' C ' ' A' ' 23' ' ' PRO . 0.1 OUTLIER -133.05 125.25 18.95 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.988 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.404 ' C ' ' HA ' ' A' ' 22' ' ' SER . 18.2 Cg_endo -74.98 -165.29 4.06 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 121.019 -2.492 . . . . 0.0 110.989 -0.002 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.17 -89.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.5 ' O ' ' CG ' ' A' ' 132' ' ' ARG . 0.1 OUTLIER -136.62 63.72 1.57 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 110.337 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -162.72 104.71 1.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.299 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.49 ' HG ' ' CG2' ' A' ' 39' ' ' THR . 1.5 tp -98.41 120.48 38.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -111.97 104.94 13.24 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -91.69 91.66 8.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 111.031 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 172.63 93.71 0.09 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.7 t -83.85 163.18 20.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 0.793 . . . . 0.0 110.013 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mp -40.94 141.61 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 72.09 -168.39 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -107.2 24.49 12.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 110.007 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.65 -97.57 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -116.04 168.83 9.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 0.743 . . . . 0.0 110.317 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -129.48 65.83 1.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.451 ' CD ' HG23 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -118.97 149.27 41.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.49 ' CG2' ' HG ' ' A' ' 27' ' ' LEU . 7.4 t -115.83 160.47 20.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.41 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.501 ' CD1' ' C ' ' A' ' 80' ' ' ILE . 0.4 OUTLIER -128.49 120.72 27.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.486 ' N ' HD12 ' A' ' 40' ' ' LEU . 51.1 mt -90.17 141.84 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.0 t -116.59 135.84 55.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.477 ' HB2' ' CG2' ' A' ' 78' ' ' ILE . 14.8 mt -124.37 107.58 11.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.3 m -97.11 106.53 18.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.387 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -73.89 97.74 2.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.3 m -70.45 -38.43 73.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.455 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 5.8 p -49.23 163.11 0.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 110.409 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.03 20.88 15.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 50' ' ' ILE . 9.9 m-80 -144.92 137.67 26.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.475 HG21 ' N ' ' A' ' 51' ' ' VAL . 95.4 mt -39.51 145.75 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.475 ' N ' HG21 ' A' ' 50' ' ' ILE . 48.4 t -137.88 123.63 25.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.59 126.82 33.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.581 ' CE1' HD11 ' A' ' 80' ' ' ILE . 52.1 p90 -118.0 165.72 13.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 110.988 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.574 ' HG3' ' CZ2' ' A' ' 118' ' ' TRP . 31.3 mttt -154.05 130.48 10.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 89.8 t -109.15 116.04 51.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.507 ' CD ' ' SD ' ' A' ' 99' ' ' MET . 0.0 OUTLIER -127.92 173.12 10.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.27 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.7 t -161.29 173.89 14.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.369 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.3 p -86.72 19.3 2.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.368 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -164.9 75.08 1.47 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -25.8 11.7 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.567 1.825 . . . . 0.0 111.056 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -91.54 32.99 1.03 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 110.335 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 85' ' ' HIS . 14.5 mtpt -142.83 -48.98 0.34 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.406 ' CE2' ' OD2' ' A' ' 94' ' ' ASP . 61.3 m-85 -104.19 123.65 47.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.7 mtm-85 -81.35 105.61 12.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.423 ' O ' ' HB3' ' A' ' 68' ' ' SER . 3.7 t -107.14 127.26 63.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.502 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.0 OUTLIER -163.99 131.22 2.48 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 66' ' ' LYS . 18.3 Cg_endo -74.99 141.27 71.28 Favored 'Cis proline' 0 C--N 1.359 1.111 0 C-N-CA 120.975 -2.51 . . . . 0.0 111.001 -0.057 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.423 ' HB3' ' O ' ' A' ' 65' ' ' VAL . 24.2 p -113.22 31.49 6.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.029 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 171.86 92.41 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.11 . . . . 0.0 109.269 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.03 -165.94 0.96 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.019 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.7 p -137.62 147.6 45.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 51.2 t -115.02 120.17 38.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 108.297 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -58.03 164.46 3.38 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.244 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 140.38 25.45 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.568 1.825 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.65 28.2 72.47 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.45 1.094 . . . . 0.0 111.002 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -133.61 -178.39 4.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.9 p -142.16 139.52 32.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.974 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.477 ' CG2' ' HB2' ' A' ' 43' ' ' LEU . 0.5 OUTLIER -105.86 169.26 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -130.63 115.0 16.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.581 HD11 ' CE1' ' A' ' 53' ' ' PHE . 2.5 mm -114.65 110.34 31.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.475 HD11 ' CD2' ' A' ' 40' ' ' LEU . 2.4 mp -82.66 145.79 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.57 HG12 ' CZ ' ' A' ' 96' ' ' PHE . 54.5 t -138.57 97.5 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.7 t -117.42 128.28 26.11 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.582 1.176 . . . . 0.0 110.034 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 85' ' ' HIS . 18.4 Cg_endo -75.0 157.1 42.96 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.518 1.799 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.438 ' N ' ' O ' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -48.43 175.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.594 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -110.24 66.79 0.23 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.451 1.094 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 179.32 -62.73 0.08 OUTLIER Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.554 ' CD2' ' C ' ' A' ' 88' ' ' LEU . 0.0 OUTLIER -71.27 -171.31 0.58 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 0.738 . . . . 0.0 109.275 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 71.6 p -110.42 -168.52 1.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.426 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.4 t -103.13 -12.73 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.3 t 56.26 172.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.975 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -121.93 12.98 10.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -111.36 -30.81 7.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.293 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.406 ' OD2' ' CE2' ' A' ' 63' ' ' TYR . 14.1 t70 -51.41 161.83 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -149.22 149.63 31.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.57 ' CZ ' HG12 ' A' ' 82' ' ' VAL . 23.1 m-85 -109.56 154.37 22.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.157 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.459 HD11 ' N ' ' A' ' 98' ' ' ILE . 1.4 tm? -134.62 142.6 46.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.46 ' CG2' HD12 ' A' ' 21' ' ' ILE . 3.8 mt -136.87 125.9 36.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.268 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.608 ' HE1' ' CZ3' ' A' ' 118' ' ' TRP . 6.6 mtp -106.87 154.84 20.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -162.01 118.57 2.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.411 ' HB3' ' HB ' ' A' ' 126' ' ' VAL . . . -129.83 131.1 46.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.434 ' HA ' ' CG2' ' A' ' 51' ' ' VAL . 0.9 OUTLIER -70.15 127.47 32.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.263 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.573 ' HG2' ' CE1' ' A' ' 117' ' ' PHE . 12.6 mtp -88.12 171.41 10.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -72.5 -143.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -80.77 -70.59 0.52 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.343 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.07 121.14 26.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 110.038 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 6.3 m -120.45 114.06 21.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.002 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 109' ' ' THR . . . -70.18 -18.19 74.65 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 108' ' ' GLY . 36.6 p 36.07 71.29 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 0.741 . . . . 0.0 110.391 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.509 ' O ' ' CD1' ' A' ' 114' ' ' LEU . . . -141.78 -171.18 12.78 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.503 1.127 . . . . 0.0 110.96 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -23.82 13.42 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.552 1.817 . . . . 0.0 111.018 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -92.14 -67.31 0.86 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -39.9 -45.82 1.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.269 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.509 ' CD1' ' O ' ' A' ' 110' ' ' GLY . 82.1 mt -62.77 -64.11 1.02 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.6 t -46.7 -33.0 3.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.984 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.52 ' HA ' ' CG ' ' A' ' 119' ' ' LYS . 1.3 mt-30 -80.54 -31.33 37.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 110.322 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.573 ' CE1' ' HG2' ' A' ' 103' ' ' MET . 87.1 t80 -84.66 -20.19 31.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . 0.608 ' CZ3' ' HE1' ' A' ' 99' ' ' MET . 55.2 m95 -90.36 -25.82 20.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 107.999 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.52 ' CG ' ' HA ' ' A' ' 116' ' ' GLN . 0.0 OUTLIER -84.43 -22.39 30.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -93.39 -42.56 9.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.558 ' CG1' ' O ' ' A' ' 117' ' ' PHE . 9.8 p -69.82 119.39 71.02 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.515 ' HG2' ' CG ' ' A' ' 125' ' ' LYS . 18.2 Cg_endo -75.04 167.92 25.95 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.444 1.76 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.469 ' HA ' ' CG1' ' A' ' 126' ' ' VAL . 0.0 OUTLIER -76.16 1.34 16.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -101.07 -13.84 18.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.515 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 29.3 mmtt -104.15 -26.96 12.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.59 HG21 ' CZ3' ' A' ' 118' ' ' TRP . 11.7 p -94.39 140.85 15.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' MET . . . . . 0.451 ' HG2' ' N ' ' A' ' 128' ' ' GLU . 66.6 ttp -80.31 157.36 26.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.451 ' N ' ' HG2' ' A' ' 127' ' ' MET . 62.5 mt-10 -143.89 110.4 5.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -121.77 116.15 23.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.61 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -88.35 138.24 31.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.309 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.09 145.93 36.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.5 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 3.4 ptt180 -113.57 142.95 45.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 110.315 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 25.4 p -88.34 135.01 33.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 108.297 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -92.19 106.67 18.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.607 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 68.2 p -129.88 137.38 50.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.368 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 27.8 m -103.05 71.77 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -63.01 -58.77 6.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 28.3 m 39.7 90.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.98 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.19 154.95 43.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.014 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.86 151.38 4.12 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -176.61 2.95 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.471 1.774 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 1.4 m120 55.68 167.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 56.7 p -144.84 114.83 7.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.979 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 5.4 tp -170.5 67.6 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -175.1 163.14 3.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -138.75 102.68 4.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 8.4 t -177.78 161.2 1.6 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.476 1.11 . . . . 0.0 109.971 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 100.01 83.63 1.75 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 111.028 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 169.44 22.61 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.512 1.796 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 3.9 m -42.46 162.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.024 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 7.5 t -62.51 101.83 0.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.017 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 -179.986 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.11 159.86 37.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 0.757 . . . . 0.0 110.016 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t 61.68 94.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.971 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.62 -110.27 2.65 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.4 p -85.54 -62.31 1.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.759 . . . . 0.0 109.947 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 68.18 156.04 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.991 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.13 -155.71 20.44 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.131 . . . . 0.0 110.959 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.34 172.15 10.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.71 142.73 26.99 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 128.91 11.87 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.539 1.81 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.23 96.8 8.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.4 m -108.7 133.86 52.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 109.993 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -129.12 141.15 47.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -73.58 96.39 2.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.586 ' HD3' ' CE1' ' A' ' 20' ' ' HIS . 9.2 mmtp -58.92 104.92 0.27 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.359 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.48 ' H ' ' CD2' ' A' ' 20' ' ' HIS . . . -95.35 155.71 21.44 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.441 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.3 Cg_endo -75.03 -17.97 19.04 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.542 1.812 . . . . 0.0 110.97 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.462 ' HA ' ' CG2' ' A' ' 47' ' ' THR . 3.8 mt -119.88 -75.13 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.49 HD23 ' CB ' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -110.02 127.56 54.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.586 ' CE1' ' HD3' ' A' ' 15' ' ' LYS . 9.9 m170 -79.48 124.64 28.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.606 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.527 HG23 ' CD2' ' A' ' 129' ' ' HIS . 1.4 mm -95.03 141.24 15.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.168 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.456 ' HA ' ' C ' ' A' ' 23' ' ' PRO . 1.2 t -149.07 130.26 7.17 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.085 . . . . 0.0 109.998 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.456 ' C ' ' HA ' ' A' ' 22' ' ' SER . 18.5 Cg_endo -74.99 -162.53 2.81 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 121.016 -2.493 . . . . 0.0 110.998 0.015 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.471 ' O ' ' NE2' ' A' ' 129' ' ' HIS . . . -73.86 -93.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.419 ' HB2' ' CG ' ' A' ' 132' ' ' ARG . 0.7 OUTLIER -129.45 55.05 1.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.576 ' HB2' ' CD2' ' A' ' 134' ' ' HIS . 4.2 pt-20 -163.27 103.42 0.97 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.503 ' HG ' ' CD1' ' A' ' 131' ' ' LEU . 27.4 mt -97.78 135.25 39.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.457 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 11.0 m-85 -109.46 109.25 20.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.514 ' CG ' HG12 ' A' ' 90' ' ' VAL . 82.5 m-85 -102.71 82.71 2.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 111.02 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.405 ' N ' ' HA ' ' A' ' 37' ' ' LYS . . . 128.13 53.9 0.12 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.472 1.108 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.8 t -120.46 140.43 51.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 0.766 . . . . 0.0 109.997 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.49 ' O ' ' CB ' ' A' ' 33' ' ' GLU . 15.6 mm -43.23 147.97 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.49 ' CB ' ' O ' ' A' ' 32' ' ' ILE . 2.1 mt-10 85.05 -46.26 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.324 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.29 -17.68 61.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.162 . . . . 0.0 109.968 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.85 -122.43 6.26 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -51.2 -177.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 0.741 . . . . 0.0 110.267 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.405 ' HA ' ' N ' ' A' ' 30' ' ' GLY . 9.3 mttt -83.45 52.05 2.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.434 ' HG2' ' N ' ' A' ' 39' ' ' THR . 0.0 OUTLIER -119.12 145.84 45.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.26 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.488 ' CG2' ' HB ' ' A' ' 82' ' ' VAL . 8.9 t -109.15 158.9 17.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 110.369 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.506 ' CD1' ' C ' ' A' ' 80' ' ' ILE . 0.8 OUTLIER -132.29 116.66 17.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 109.305 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.453 ' N ' HD11 ' A' ' 40' ' ' LEU . 77.0 mt -90.24 139.49 17.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.2 t -114.54 133.03 61.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.359 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.485 ' HA ' ' O ' ' A' ' 20' ' ' HIS . 45.6 mt -116.8 101.91 8.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.415 ' C ' HD13 ' A' ' 19' ' ' LEU . 1.0 OUTLIER -93.83 104.35 16.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.385 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.49 ' CB ' HD23 ' A' ' 19' ' ' LEU . 25.8 t30 -75.9 106.23 7.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.438 HG21 ' N ' ' A' ' 47' ' ' THR . 26.5 m -82.29 -41.54 18.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.462 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 2.0 p -46.03 155.46 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.431 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.3 tptt -94.55 28.41 2.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.246 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 50' ' ' ILE . 14.6 m-80 -151.5 134.84 16.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.431 ' CG1' ' HD3' ' A' ' 74' ' ' PRO . 59.1 mt -38.79 148.1 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.442 ' CG2' ' HA ' ' A' ' 102' ' ' GLU . 54.4 t -139.0 128.35 30.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.374 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.68 133.54 34.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.561 ' CE1' HD13 ' A' ' 80' ' ' ILE . 28.0 p90 -127.06 145.56 50.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 111.056 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.52 ' HD2' ' CE2' ' A' ' 118' ' ' TRP . 17.8 mttt -140.41 128.58 22.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.44 HG11 ' CG1' ' A' ' 65' ' ' VAL . 25.5 t -106.38 128.67 60.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.466 ' NE ' ' SD ' ' A' ' 99' ' ' MET . 0.0 OUTLIER -137.9 146.41 43.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 110.312 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.3 t -127.04 165.33 19.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.429 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 29.0 p -75.91 -0.36 21.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.344 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.428 ' CB ' ' HD3' ' A' ' 62' ' ' LYS . . . -153.32 75.28 6.57 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 0.23 9.15 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.517 1.798 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -106.22 10.61 31.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.266 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.428 ' HD3' ' CB ' ' A' ' 59' ' ' ALA . 10.5 mtpt -123.47 -47.4 1.98 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -101.55 145.33 29.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.978 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -101.6 101.2 11.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.44 ' CG1' HG11 ' A' ' 55' ' ' VAL . 8.3 t -98.05 125.14 51.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.259 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.496 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.4 OUTLIER -162.45 131.2 2.98 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.346 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 66' ' ' LYS . 18.5 Cg_endo -74.97 134.83 37.69 Favored 'Cis proline' 0 C--N 1.359 1.124 0 C-N-CA 121.021 -2.491 . . . . 0.0 110.997 0.05 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.48 ' O ' ' CB ' ' A' ' 69' ' ' ASN . 87.0 p -112.78 50.18 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.018 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.48 ' CB ' ' O ' ' A' ' 68' ' ' SER . 2.1 m-20 156.61 95.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -176.72 -162.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.988 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 94.3 p -136.86 158.28 44.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.987 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 46.0 t -120.0 119.45 33.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 108.328 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -55.1 162.11 2.17 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.431 ' HD3' ' CG1' ' A' ' 50' ' ' ILE . 18.5 Cg_endo -75.01 139.49 24.32 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.466 1.772 . . . . 0.0 111.041 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.47 30.96 73.32 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -135.8 -178.63 5.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 0.745 . . . . 0.0 109.295 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.9 p -144.11 135.72 25.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.966 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.469 ' CG2' ' HB2' ' A' ' 43' ' ' LEU . 1.0 OUTLIER -104.74 171.46 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -131.59 117.19 18.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.36 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.561 HD13 ' CE1' ' A' ' 53' ' ' PHE . 3.4 mm -113.89 106.03 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.246 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.474 HD11 ' CD1' ' A' ' 40' ' ' LEU . 2.1 mp -78.65 146.63 7.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.58 HG12 ' CZ ' ' A' ' 96' ' ' PHE . 55.7 t -141.15 97.72 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.168 . . . . 0.0 109.266 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -111.4 125.74 29.91 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.162 . . . . 0.0 109.969 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 85' ' ' HIS . 18.4 Cg_endo -74.98 107.21 2.43 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.516 1.798 . . . . 0.0 111.04 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.418 ' N ' ' O ' ' A' ' 62' ' ' LYS . 0.2 OUTLIER 39.61 -158.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.63 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -130.5 39.75 1.76 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.534 1.146 . . . . 0.0 110.984 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -176.03 -55.03 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.411 ' HG ' ' CB ' ' A' ' 85' ' ' HIS . 4.3 pp -59.18 -167.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.446 ' OG1' ' N ' ' A' ' 90' ' ' VAL . 0.8 OUTLIER -137.6 173.56 11.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 0.0 110.41 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.514 HG12 ' CG ' ' A' ' 29' ' ' PHE . 10.8 p -102.84 138.34 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.7 m -124.15 177.6 5.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 109.976 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -92.7 36.9 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -109.03 -30.37 8.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.27 170.85 8.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.53 157.95 43.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.349 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.58 ' CZ ' HG12 ' A' ' 82' ' ' VAL . 62.7 m-85 -114.26 152.41 31.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 111.023 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 56' ' ' ARG . 3.4 tm? -133.24 136.93 45.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.52 ' CG2' ' CD1' ' A' ' 21' ' ' ILE . 3.2 mt -128.18 138.13 55.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.468 ' N ' ' O ' ' A' ' 54' ' ' LYS . 13.0 mtp -112.58 153.74 27.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -161.52 119.57 2.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.266 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -134.98 131.23 36.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.442 ' HA ' ' CG2' ' A' ' 51' ' ' VAL . 1.6 tt0 -69.87 130.87 43.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.313 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.631 ' CG ' ' CE2' ' A' ' 117' ' ' PHE . 35.3 mtp -98.28 170.94 8.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 111.033 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -77.37 -143.13 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -55.09 -168.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.319 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.6 m -53.09 111.81 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.995 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 83.7 p -87.63 -178.21 6.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.107 . . . . 0.0 109.999 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -107.09 -13.88 20.25 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.473 1.108 . . . . 0.0 110.966 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 80.2 p 45.2 70.06 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.773 . . . . 0.0 110.402 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.418 ' O ' ' CG ' ' A' ' 114' ' ' LEU . . . -135.23 -168.83 11.72 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.544 1.152 . . . . 0.0 111.031 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -20.73 16.54 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.492 1.785 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -92.45 -70.95 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 112' ' ' ALA . 2.9 mm-40 -37.7 -45.63 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 110.295 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 117' ' ' PHE . 79.1 mt -61.12 -65.95 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.337 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.492 ' O ' ' CG ' ' A' ' 119' ' ' LYS . 0.2 OUTLIER -49.47 -28.29 5.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.957 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.523 ' HA ' ' CG ' ' A' ' 119' ' ' LYS . 2.2 mt-30 -82.51 -30.21 29.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.311 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.631 ' CE2' ' CG ' ' A' ' 103' ' ' MET . 29.7 t80 -86.65 -24.17 25.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 111.071 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . 0.52 ' CE2' ' HD2' ' A' ' 54' ' ' LYS . 54.5 m95 -87.65 -20.99 25.55 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.516 1.135 . . . . 0.0 108.022 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.523 ' CG ' ' HA ' ' A' ' 116' ' ' GLN . 0.0 OUTLIER -89.85 -26.52 20.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.463 ' CG ' ' HD2' ' A' ' 119' ' ' LYS . 2.6 mt-10 -88.71 -38.99 14.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.336 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.513 ' CG1' ' O ' ' A' ' 117' ' ' PHE . 7.2 p -68.29 124.75 90.51 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.484 ' HG2' ' CG ' ' A' ' 125' ' ' LYS . 18.4 Cg_endo -74.93 144.24 30.29 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.485 1.782 . . . . 0.0 111.028 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.518 ' CD ' ' N ' ' A' ' 124' ' ' ASN . 0.0 OUTLIER -49.3 -19.89 0.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 110.278 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . 0.518 ' N ' ' CD ' ' A' ' 123' ' ' ARG . 2.5 t30 -73.88 -33.13 63.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.35 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.484 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 24.7 mmtt -93.73 0.19 56.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.25 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 74.8 t -94.1 107.94 19.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' MET . . . . . 0.441 ' SD ' ' HD2' ' A' ' 17' ' ' PRO . 39.9 ttp -83.65 113.03 20.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 111.016 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -106.81 127.69 53.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . 0.527 ' CD2' HG23 ' A' ' 21' ' ' ILE . 71.8 t60 -120.62 128.3 52.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.592 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -100.37 118.68 37.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.148 . . . . 0.0 110.306 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.503 ' CD1' ' HG ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -92.52 142.7 27.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 27' ' ' LEU . 2.5 mmt85 -105.95 160.06 15.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.27 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 11.4 t -98.69 135.05 40.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 108.29 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.576 ' CD2' ' HB2' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -103.51 100.3 10.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.571 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 8.7 p -86.11 127.9 34.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.409 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 17.6 m -107.87 68.8 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -155.7 169.98 23.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 22.0 m -159.8 118.77 2.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.023 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 75.4 m 63.18 154.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 110.012 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -158.35 172.74 5.75 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 80.1 2.52 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.501 1.79 . . . . 0.0 110.98 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 43.99 88.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 3.7 t -174.46 66.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 109.987 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -160.9 -44.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 65.87 137.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 35.3 mt -47.79 97.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.81 133.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.998 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 113.96 104.01 2.58 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.476 1.11 . . . . 0.0 110.966 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.99 168.88 23.86 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.532 1.807 . . . . 0.0 111.023 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.69 150.66 46.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.997 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.54 166.61 32.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 0.0 110.047 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 -180.0 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m 46.34 84.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 0.751 . . . . 0.0 109.993 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.4 m -154.37 150.37 27.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.983 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.24 152.0 5.54 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.48 1.112 . . . . 0.0 110.953 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m -92.44 153.94 18.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 0.797 . . . . 0.0 110.04 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 62.2 169.47 0.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.147 . . . . 0.0 109.991 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.69 -121.8 1.34 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.504 1.128 . . . . 0.0 110.989 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.2 mttt 69.78 161.67 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 0.78 . . . . 0.0 109.32 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.19 161.69 23.36 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 116.46 4.6 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.501 1.79 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -167.1 105.11 0.56 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.3 m -135.69 151.24 49.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 110.006 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.477 HG21 ' CE ' ' A' ' 15' ' ' LYS . 0.6 OUTLIER -127.25 143.47 40.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -74.16 96.44 2.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.579 ' HG3' ' CE1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -56.86 104.89 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 109.304 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.449 ' H ' ' CD2' ' A' ' 20' ' ' HIS . . . -94.02 155.48 21.96 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.512 1.133 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -19.31 17.91 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.463 1.77 . . . . 0.0 111.011 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.423 ' HA ' ' CG2' ' A' ' 47' ' ' THR . 5.4 mt -120.97 -76.05 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.467 ' CD1' ' HB3' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -109.83 135.09 51.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.579 ' CE1' ' HG3' ' A' ' 15' ' ' LYS . 10.5 m170 -79.36 156.23 28.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.592 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.477 HD13 ' CD2' ' A' ' 43' ' ' LEU . 1.7 mm -128.32 130.44 69.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.484 ' HA ' ' C ' ' A' ' 23' ' ' PRO . 0.3 OUTLIER -145.28 132.45 10.15 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.054 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.484 ' C ' ' HA ' ' A' ' 22' ' ' SER . 18.4 Cg_endo -74.99 168.33 77.76 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 121.031 -2.487 . . . . 0.0 111.019 0.045 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.425 ' O ' ' O ' ' A' ' 23' ' ' PRO . . . -47.05 -96.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.508 ' O ' ' CG ' ' A' ' 132' ' ' ARG . 39.3 mt-10 -130.66 62.37 1.6 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.152 . . . . 0.0 110.325 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.422 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 0.4 OUTLIER -164.05 103.26 0.88 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.49 HD13 ' CG2' ' A' ' 39' ' ' THR . 0.1 OUTLIER -91.2 143.79 26.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -132.37 96.26 3.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 110.949 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.425 ' CE2' HG22 ' A' ' 39' ' ' THR . 84.4 m-85 -89.72 96.23 10.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -158.32 48.0 0.44 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.407 ' O ' ' O ' ' A' ' 35' ' ' GLY . 2.9 t -97.9 153.54 18.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.575 0.809 . . . . 0.0 109.962 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 34' ' ' SER . 2.9 mp -136.72 156.4 35.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 68.17 -61.61 0.38 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 110.286 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 32' ' ' ILE . 0.6 OUTLIER -90.1 31.37 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.019 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 31' ' ' SER . . . 129.96 131.72 3.37 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.537 1.148 . . . . 0.0 110.969 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -90.15 96.53 10.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 0.756 . . . . 0.0 110.257 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.9 mttt 68.2 59.11 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.505 ' HG2' ' N ' ' A' ' 39' ' ' THR . 0.2 OUTLIER -127.49 142.64 51.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.505 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 6.2 t -111.37 158.33 19.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.401 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.476 HD11 ' N ' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -128.7 118.55 23.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.476 ' N ' HD11 ' A' ' 40' ' ' LEU . 62.7 mt -90.8 151.92 3.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.428 ' N ' HG21 ' A' ' 41' ' ' ILE . 2.3 t -126.09 137.49 57.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.477 ' CD2' HD13 ' A' ' 21' ' ' ILE . 16.2 mt -124.28 110.17 14.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.407 ' C ' HD12 ' A' ' 19' ' ' LEU . 0.9 OUTLIER -98.09 110.64 23.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.403 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 72' ' ' CYS . 13.6 t-20 -78.88 106.77 11.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.8 m -82.81 -39.06 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.412 1.07 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.423 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 1.6 p -51.32 152.37 2.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.439 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -92.82 29.58 1.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 50' ' ' ILE . 21.5 m-80 -151.07 136.56 17.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 49' ' ' ASN . 25.8 mt -39.18 145.48 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.3 t -137.7 123.57 26.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -81.6 121.26 26.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.595 ' CE1' HD13 ' A' ' 80' ' ' ILE . 25.7 p90 -110.33 163.09 13.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.971 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.412 ' CG ' ' O ' ' A' ' 53' ' ' PHE . 15.1 mttm -157.86 154.13 27.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.6 t -134.22 124.73 46.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.549 ' HG3' ' HB3' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -130.89 166.29 21.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.439 ' OG1' ' N ' ' A' ' 58' ' ' THR . 1.9 t -151.64 176.01 11.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 110.411 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.439 ' N ' ' OG1' ' A' ' 57' ' ' THR . 7.7 p -88.49 21.78 2.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 110.419 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.496 ' HB2' ' CD ' ' A' ' 62' ' ' LYS . . . -165.01 74.39 1.45 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 7.31 2.91 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.446 1.761 . . . . 0.0 110.971 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -125.4 20.85 7.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.569 ' HA ' ' CD2' ' A' ' 85' ' ' HIS . 3.9 mttm -134.46 -47.54 0.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -106.9 118.58 37.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.92 119.88 25.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.137 . . . . 0.0 110.351 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.2 t -115.53 132.15 65.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.51 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.4 OUTLIER -161.93 134.32 4.28 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 66' ' ' LYS . 18.3 Cg_endo -75.02 133.15 30.1 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 121.0 -2.5 . . . . 0.0 110.982 0.028 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.435 ' N ' ' HA ' ' A' ' 66' ' ' LYS . 88.8 p -112.98 42.5 1.87 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 110.013 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.447 ' N ' ' OD1' ' A' ' 69' ' ' ASN . 9.0 p-10 167.2 84.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.107 . . . . 0.0 109.348 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.09 -169.35 0.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 110.007 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 93.8 p -132.2 158.55 41.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.968 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.46 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 51.8 t -119.34 125.09 48.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 108.297 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.55 162.7 10.71 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.437 1.086 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 139.08 23.77 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.502 1.79 . . . . 0.0 110.969 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.63 35.49 86.18 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -139.05 -178.56 5.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 0.731 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.2 p -142.59 134.66 27.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.983 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.407 HD12 ' CZ ' ' A' ' 53' ' ' PHE . 1.1 tt -105.05 169.23 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -128.12 119.82 26.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.595 HD13 ' CE1' ' A' ' 53' ' ' PHE . 2.7 mm -116.1 104.58 16.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.453 HD13 ' CD2' ' A' ' 40' ' ' LEU . 2.3 mp -77.96 146.51 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.471 ' HB ' ' CG2' ' A' ' 39' ' ' THR . 96.3 t -136.82 98.22 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.253 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -116.94 124.28 29.37 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 110.017 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.462 ' HG3' ' CG1' ' A' ' 90' ' ' VAL . 18.4 Cg_endo -75.0 175.83 10.72 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.431 1.753 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.569 ' CD2' ' HA ' ' A' ' 62' ' ' LYS . 1.1 m-70 -63.29 111.02 2.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.625 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -42.85 92.95 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.51 1.131 . . . . 0.0 111.05 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 85' ' ' HIS . . . 146.45 -71.0 0.35 Allowed Glycine 0 CA--C 1.529 0.955 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.462 ' CD2' ' HB2' ' A' ' 85' ' ' HIS . 4.2 pp -60.94 -170.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 0.747 . . . . 0.0 109.25 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.461 ' OG1' ' N ' ' A' ' 90' ' ' VAL . 1.7 t -127.11 177.58 6.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.4 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.462 ' CG1' ' HG3' ' A' ' 84' ' ' PRO . 3.3 m -100.81 5.42 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.363 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.4 m 40.04 -156.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.949 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -128.41 18.17 6.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -112.12 -24.23 9.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.138 . . . . 0.0 110.274 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -59.45 139.17 57.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.244 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.69 142.43 51.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.458 ' O ' ' N ' ' A' ' 131' ' ' LEU . 39.2 m-85 -116.87 142.99 46.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.549 ' HB3' ' HG3' ' A' ' 56' ' ' ARG . 1.7 tm? -128.46 147.29 50.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.341 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.404 HG22 ' CD1' ' A' ' 21' ' ' ILE . 3.3 mt -135.43 131.31 51.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.594 ' HE2' ' CZ3' ' A' ' 118' ' ' TRP . 2.0 mtp -107.79 154.44 21.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -161.44 117.59 2.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.432 ' HB3' ' CB ' ' A' ' 126' ' ' VAL . . . -128.78 132.99 47.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -69.9 121.51 17.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.309 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.632 ' CG ' ' CZ ' ' A' ' 117' ' ' PHE . 9.6 mtp -85.33 171.47 11.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 111.025 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -81.07 -170.32 2.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -49.59 -84.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.353 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.15 122.01 25.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.979 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 13.3 m -124.76 104.17 8.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.985 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 109' ' ' THR . . . -52.06 -19.92 5.99 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 108' ' ' GLY . 51.6 p 38.04 51.35 1.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 0.758 . . . . 0.0 110.391 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.515 ' O ' ' CD1' ' A' ' 114' ' ' LEU . . . -120.6 -168.68 13.71 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.5 1.125 . . . . 0.0 110.971 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -28.1 9.43 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.555 1.818 . . . . 0.0 111.026 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -87.5 -67.7 0.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 117' ' ' PHE . 1.5 mm-40 -38.28 -47.3 1.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.515 ' CD1' ' O ' ' A' ' 110' ' ' GLY . 78.2 mt -60.04 -66.1 0.57 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.73 -33.69 3.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 110.032 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.524 ' HA ' ' CG ' ' A' ' 119' ' ' LYS . 2.0 mt-30 -80.14 -32.12 38.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.258 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.632 ' CZ ' ' CG ' ' A' ' 103' ' ' MET . 75.5 t80 -84.2 -18.6 36.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 111.067 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . 0.604 ' CZ3' HG22 ' A' ' 126' ' ' VAL . 55.1 m95 -92.37 -26.49 18.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 107.99 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.524 ' CG ' ' HA ' ' A' ' 116' ' ' GLN . 0.0 OUTLIER -83.62 -23.51 31.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -92.15 -41.65 10.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 110.296 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.547 ' CG1' ' O ' ' A' ' 117' ' ' PHE . 9.9 p -69.26 119.45 70.42 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.514 ' HG2' ' CG ' ' A' ' 125' ' ' LYS . 18.1 Cg_endo -75.02 170.02 21.34 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.472 1.775 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.441 ' HA ' ' CG1' ' A' ' 126' ' ' VAL . 0.0 OUTLIER -77.63 0.66 22.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -100.46 -13.89 18.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.514 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 30.1 mmtt -104.25 -26.93 12.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.604 HG22 ' CZ3' ' A' ' 118' ' ' TRP . 14.9 p -95.65 140.17 17.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' MET . . . . . 0.442 ' HG2' ' N ' ' A' ' 128' ' ' GLU . 66.9 ttp -81.47 156.1 25.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.442 ' N ' ' HG2' ' A' ' 127' ' ' MET . 40.6 mt-10 -142.43 113.8 7.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 110.311 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -119.98 126.51 51.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 109.639 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.32 125.25 43.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.287 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 96' ' ' PHE . 0.2 OUTLIER -99.62 144.37 28.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.157 . . . . 0.0 109.302 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.508 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 7.7 ptp180 -115.24 154.75 28.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.282 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 1.9 t -91.87 144.61 25.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 108.29 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -116.96 71.84 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.597 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 5.5 p -104.07 -156.76 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.388 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -157.66 121.06 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.248 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -178.53 156.95 0.95 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.52 1.137 . . . . 0.0 110.262 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 10.6 p -165.79 162.33 18.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.989 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.86 -70.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.975 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt 62.45 128.65 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -172.46 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.477 1.777 . . . . 0.0 110.982 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -82.68 158.45 22.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.5 t -177.93 146.41 0.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.029 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -135.48 79.27 1.77 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -168.45 138.23 2.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.946 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 2.7 mp -84.11 126.26 32.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.34 119.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.969 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 131.39 108.35 1.19 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.517 1.135 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 104.86 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.529 1.805 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.45 164.9 6.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 109.967 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.82 141.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.989 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.545 1.153 . . . . 0.0 111.005 179.99 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -171.15 85.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 0.794 . . . . 0.0 110.006 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m 63.2 145.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 110.007 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.54 159.16 7.81 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.497 1.123 . . . . 0.0 110.955 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -158.65 94.31 1.24 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 0.764 . . . . 0.0 110.013 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 t -94.84 143.67 26.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 109.974 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.89 -66.85 0.38 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.52 141.76 50.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 0.74 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.7 163.55 42.25 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 154.63 42.37 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.549 1.815 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.32 115.36 14.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.2 m -58.6 132.97 55.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.943 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 65.2 t -137.16 133.05 47.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.519 ' CG ' ' CE1' ' A' ' 129' ' ' HIS . 53.5 t80 -75.6 94.87 3.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.678 ' HG3' ' CE1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -63.93 84.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.17 154.64 46.56 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.48 1.113 . . . . 0.0 111.014 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.5 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.2 Cg_endo -75.01 -18.5 18.66 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.471 1.774 . . . . 0.0 110.97 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.448 ' HA ' ' CG2' ' A' ' 47' ' ' THR . 0.4 OUTLIER -125.04 -69.31 0.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.445 ' CD2' ' HB ' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -109.64 128.81 55.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.248 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.678 ' CE1' ' HG3' ' A' ' 15' ' ' LYS . 6.8 m170 -82.95 120.38 25.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.631 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.637 ' CG2' ' CD2' ' A' ' 129' ' ' HIS . 1.5 mm -94.16 136.49 25.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.456 ' HA ' ' C ' ' A' ' 23' ' ' PRO . 0.3 OUTLIER -145.1 129.21 8.79 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.026 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.524 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 18.2 Cg_endo -75.04 -161.67 2.56 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 120.994 -2.503 . . . . 0.0 110.965 0.049 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.58 -107.28 0.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.452 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 0.3 OUTLIER -100.69 65.13 1.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.327 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.524 ' O ' ' HG2' ' A' ' 23' ' ' PRO . 0.0 OUTLIER -163.98 146.85 9.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.298 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.524 ' CD1' HG21 ' A' ' 39' ' ' THR . 1.0 OUTLIER -147.63 123.0 10.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -121.25 102.59 8.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 111.046 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -86.37 92.99 8.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -128.27 176.44 18.15 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.53 1.144 . . . . 0.0 111.028 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 m -100.42 124.44 45.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 0.799 . . . . 0.0 110.032 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 43.9 mt -63.36 -66.22 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -138.16 -64.11 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.2 t -119.5 17.52 12.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.028 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -93.59 -141.51 11.06 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.548 1.155 . . . . 0.0 110.959 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 38' ' ' LYS . 0.7 OUTLIER -156.6 177.11 11.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 110.329 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -50.53 92.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.291 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.484 ' HD2' ' CG2' ' A' ' 81' ' ' ILE . 0.2 OUTLIER -150.16 142.31 24.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.524 HG21 ' CD1' ' A' ' 27' ' ' LEU . 14.5 t -110.31 163.82 13.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.112 . . . . 0.0 110.371 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.504 ' CD1' ' C ' ' A' ' 80' ' ' ILE . 0.3 OUTLIER -132.76 117.65 18.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.232 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.467 HD13 ' CD1' ' A' ' 98' ' ' ILE . 21.5 mt -92.52 130.92 40.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 t -106.07 133.13 51.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.475 ' CD2' HD13 ' A' ' 21' ' ' ILE . 27.8 mt -116.04 101.16 8.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.412 ' C ' HD12 ' A' ' 19' ' ' LEU . 0.9 OUTLIER -91.22 108.56 19.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.415 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.414 ' OD1' ' OG1' ' A' ' 47' ' ' THR . 52.4 t-20 -78.57 106.05 10.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.406 HG23 ' N ' ' A' ' 47' ' ' THR . 35.6 m -85.78 -39.25 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.448 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 1.6 p -51.7 154.96 1.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.406 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.93 29.76 2.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.415 ' O ' ' C ' ' A' ' 50' ' ' ILE . 7.5 m-80 -152.07 137.01 17.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.269 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.415 ' C ' ' O ' ' A' ' 49' ' ' ASN . 23.8 mt -38.85 148.35 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.445 ' HB ' ' CD2' ' A' ' 19' ' ' LEU . 73.6 t -138.77 123.1 20.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.401 ' HB3' ' CD2' ' A' ' 114' ' ' LEU . . . -84.39 131.9 34.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.355 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.594 ' CE1' HD11 ' A' ' 80' ' ' ILE . 44.4 p90 -124.39 144.56 49.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.992 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.57 ' HE3' ' CD1' ' A' ' 118' ' ' TRP . 9.5 mttt -137.49 124.25 21.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 39.9 t -95.13 121.99 46.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -126.73 141.57 51.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.532 1.145 . . . . 0.0 110.304 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.1 t -135.48 170.89 15.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 110.375 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 24.1 p -88.26 21.22 2.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.415 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.499 ' HB2' ' CD2' ' A' ' 63' ' ' TYR . . . -164.65 75.32 1.53 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.127 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -1.24 10.98 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.53 1.805 . . . . 0.0 110.965 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.467 ' O ' ' CD2' ' A' ' 85' ' ' HIS . 14.1 pt-20 -118.82 12.1 12.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 85' ' ' HIS . 20.1 mttt -124.79 -50.2 1.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.356 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.571 ' CE2' ' OD1' ' A' ' 94' ' ' ASP . 31.1 m-85 -102.64 115.22 30.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 110.969 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.28 106.81 13.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.325 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.438 ' CG1' HG23 ' A' ' 82' ' ' VAL . 2.1 t -104.51 132.43 51.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.503 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.0 OUTLIER -163.01 134.51 3.79 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 66' ' ' LYS . 18.3 Cg_endo -74.99 133.68 32.5 Favored 'Cis proline' 0 C--N 1.359 1.12 0 C-N-CA 121.024 -2.49 . . . . 0.0 111.038 -0.029 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.426 ' N ' ' HA ' ' A' ' 66' ' ' LYS . 88.6 p -110.97 45.43 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.983 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 164.11 88.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.437 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 3.3 t -173.37 -177.34 1.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.006 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 54.4 p -124.51 158.31 33.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.018 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 44.4 t -118.2 116.4 26.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 108.304 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -53.02 161.97 1.13 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 138.73 23.3 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.65 32.87 71.03 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -138.46 -179.16 5.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 0.745 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.5 p -143.54 134.47 25.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.999 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.447 HG22 ' CD1' ' A' ' 80' ' ' ILE . 1.1 tt -104.78 169.96 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -128.77 118.38 22.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.594 HD11 ' CE1' ' A' ' 53' ' ' PHE . 3.7 mm -114.55 111.54 36.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.484 ' CG2' ' HD2' ' A' ' 38' ' ' LYS . 1.9 mp -82.15 147.22 6.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.679 ' CG1' ' CZ ' ' A' ' 96' ' ' PHE . 64.2 t -140.72 98.52 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 29.5 t -125.04 143.64 44.73 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 110.008 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 171.42 18.35 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.534 1.807 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.467 ' CD2' ' O ' ' A' ' 61' ' ' GLU . 0.1 OUTLIER -49.74 -23.0 1.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.586 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 125.03 -85.35 0.36 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.509 1.13 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -45.1 -68.96 0.83 Allowed Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.458 ' C ' ' CD1' ' A' ' 88' ' ' LEU . 0.1 OUTLIER -54.68 -172.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 0.755 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.453 ' OG1' ' N ' ' A' ' 90' ' ' VAL . 1.4 t -151.78 175.54 12.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.406 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.453 ' N ' ' OG1' ' A' ' 89' ' ' THR . 1.3 m -84.99 135.02 25.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.138 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.42 -168.96 1.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.004 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -85.66 -9.67 56.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -92.56 -25.77 18.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 110.306 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.571 ' OD1' ' CE2' ' A' ' 63' ' ' TYR . 42.8 t0 -60.12 128.35 36.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.155 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.426 ' HG3' ' N ' ' A' ' 96' ' ' PHE . 7.5 tpp180 -133.16 142.76 48.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.679 ' CZ ' ' CG1' ' A' ' 82' ' ' VAL . 38.4 m-85 -115.47 154.32 29.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.477 ' CD1' ' HB3' ' A' ' 128' ' ' GLU . 24.7 tp -137.76 146.4 43.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.527 ' CG2' ' CD1' ' A' ' 21' ' ' ILE . 3.4 mt -136.71 120.93 24.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.547 ' HB3' ' CH2' ' A' ' 118' ' ' TRP . 9.9 mtm -93.83 156.14 16.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.415 ' O ' ' HB3' ' A' ' 127' ' ' MET . . . -161.41 121.0 2.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.437 ' HB3' ' CZ ' ' A' ' 117' ' ' PHE . . . -133.41 130.32 38.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.403 ' OE1' ' ND2' ' A' ' 49' ' ' ASN . 0.7 OUTLIER -70.34 120.4 15.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.563 ' HA ' ' CE1' ' A' ' 117' ' ' PHE . 12.5 mtp -85.59 171.71 11.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -79.91 -169.83 2.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -52.35 -84.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.266 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.27 121.88 22.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.1 . . . . 0.0 109.973 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.2 m -122.82 130.25 52.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 110.003 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -79.92 -29.75 45.7 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.57 1.169 . . . . 0.0 110.963 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 59.7 p 46.99 70.55 0.39 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.544 0.791 . . . . 0.0 110.389 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.408 ' O ' ' CG ' ' A' ' 114' ' ' LEU . . . -140.59 -158.78 7.69 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.477 1.111 . . . . 0.0 111.026 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -50.49 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.542 1.812 . . . . 0.0 110.977 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -73.45 -64.09 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.252 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 112' ' ' ALA . 0.5 OUTLIER -34.43 -54.45 0.53 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.327 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 118' ' ' TRP . 73.0 mt -56.57 -64.79 0.75 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.169 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.411 ' O ' ' CG ' ' A' ' 119' ' ' LYS . 0.1 OUTLIER -47.75 -31.6 4.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.003 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.522 ' HA ' ' CG ' ' A' ' 119' ' ' LYS . 1.6 mt-30 -79.33 -31.2 43.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.337 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.563 ' CE1' ' HA ' ' A' ' 103' ' ' MET . 33.8 t80 -85.38 -21.79 28.69 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . 0.57 ' CD1' ' HE3' ' A' ' 54' ' ' LYS . 60.9 m95 -89.32 -23.39 22.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 108.047 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.522 ' CG ' ' HA ' ' A' ' 116' ' ' GLN . 0.0 OUTLIER -86.99 -27.99 22.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.274 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.46 ' CG ' ' HD2' ' A' ' 119' ' ' LYS . 2.3 mt-10 -86.09 -39.84 16.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.555 1.16 . . . . 0.0 110.316 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.509 ' CG1' ' O ' ' A' ' 117' ' ' PHE . 7.4 p -69.04 127.42 93.08 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.493 ' HG2' ' CG ' ' A' ' 125' ' ' LYS . 18.2 Cg_endo -75.03 172.63 16.0 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.486 1.782 . . . . 0.0 111.017 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.68 -20.71 60.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -76.22 -20.07 57.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.09 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.493 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 18.5 mmtt -103.94 -16.48 15.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.091 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 41.5 t -78.44 104.8 6.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' MET . . . . . 0.5 ' SD ' ' HD2' ' A' ' 17' ' ' PRO . 22.5 ttp -80.82 99.83 8.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 111.031 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.477 ' HB3' ' CD1' ' A' ' 97' ' ' LEU . 26.6 mt-10 -97.96 135.75 39.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . 0.637 ' CD2' ' CG2' ' A' ' 21' ' ' ILE . 71.7 t60 -128.51 114.98 17.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.591 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.11 121.78 32.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.49 ' CD1' ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -93.71 149.47 21.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.326 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.474 ' O ' ' N ' ' A' ' 27' ' ' LEU . 4.7 ptm180 -129.36 149.07 51.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 110.248 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 12.3 t -88.09 156.37 19.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 108.345 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -100.01 68.38 1.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.63 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 3.0 p -55.37 -175.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.371 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 9.2 p 42.28 51.92 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -173.85 77.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.69 155.72 0.07 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 109.978 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 3.8 t 76.45 -58.43 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.988 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 7.0 tptt -48.34 130.55 13.11 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 109.345 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 163.6 34.91 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.459 1.768 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 42.3 m-20 -83.95 113.04 20.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 27.7 t -173.0 -56.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.007 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 23.0 tp -134.71 124.1 24.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -134.03 155.0 50.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 1.5 pp -152.21 64.68 0.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.336 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 4.0 m -43.0 146.82 0.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.997 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -154.01 -155.48 7.24 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 161.18 39.06 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.504 1.792 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 73.2 m 62.73 113.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 110.032 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 7.3 p 56.21 170.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.988 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.477 1.111 . . . . 0.0 110.975 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.35 83.42 0.77 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 0.753 . . . . 0.0 109.998 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.6 p -98.29 105.71 17.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.998 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.9 -168.62 12.83 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.466 1.104 . . . . 0.0 111.018 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.2 p -174.45 136.75 0.47 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 0.746 . . . . 0.0 110.002 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.49 155.54 21.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 110.017 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.11 74.48 0.48 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.452 1.095 . . . . 0.0 110.97 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.92 149.17 0.47 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 0.794 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.2 mttm -45.5 157.36 0.37 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 166.5 29.05 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.47 1.774 . . . . 0.0 111.004 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.8 mp -100.59 108.83 20.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.2 m -114.03 128.94 56.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.032 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -124.71 138.45 54.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.559 ' CD2' ' ND1' ' A' ' 129' ' ' HIS . 3.2 t80 -75.15 96.06 3.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.588 ' HG3' ' CE1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -52.2 97.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.462 ' H ' ' CD2' ' A' ' 20' ' ' HIS . . . -88.2 157.62 28.27 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.413 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.4 Cg_endo -74.98 -17.53 19.52 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.54 1.811 . . . . 0.0 111.068 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.425 ' HA ' ' CG2' ' A' ' 47' ' ' THR . 0.3 OUTLIER -128.05 -76.6 0.56 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.437 HD13 ' C ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -102.55 127.59 49.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.588 ' CE1' ' HG3' ' A' ' 15' ' ' LYS . 10.5 m170 -79.65 126.28 30.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.6 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.562 ' CD1' ' CG2' ' A' ' 98' ' ' ILE . 1.5 mm -95.51 137.36 23.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.469 ' HA ' ' C ' ' A' ' 23' ' ' PRO . 0.3 OUTLIER -146.89 130.71 8.38 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.03 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.516 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 18.4 Cg_endo -75.0 -164.38 3.58 Favored 'Cis proline' 0 C--N 1.36 1.134 0 C-N-CA 121.006 -2.497 . . . . 0.0 111.03 -0.029 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.473 ' O ' ' NE2' ' A' ' 129' ' ' HIS . . . -78.08 -106.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -110.01 65.37 0.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.323 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.516 ' O ' ' HG2' ' A' ' 23' ' ' PRO . 10.9 pt-20 -163.04 147.29 11.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.319 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.5 mt -149.09 133.78 17.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -131.43 101.98 5.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.148 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.527 ' CE1' HG21 ' A' ' 90' ' ' VAL . 19.5 m-85 -82.44 92.09 6.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 153.12 55.76 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 33' ' ' GLU . 52.7 m -68.42 145.29 54.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 0.765 . . . . 0.0 110.013 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 15.8 mt 65.33 -76.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 31' ' ' SER . 2.7 mm-40 -119.76 -178.49 3.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 110.336 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.1 m -98.3 28.12 4.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.973 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -92.39 -58.45 1.36 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.465 1.103 . . . . 0.0 110.975 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -95.41 84.02 3.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 110.304 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -74.35 75.5 1.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.493 ' HG2' ' N ' ' A' ' 39' ' ' THR . 0.0 OUTLIER -142.88 141.89 31.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.493 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 7.8 t -106.09 162.46 13.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.4 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.506 ' CD1' ' C ' ' A' ' 80' ' ' ILE . 0.7 OUTLIER -131.86 116.92 17.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.459 ' N ' HD11 ' A' ' 40' ' ' LEU . 21.9 mt -90.81 139.35 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 t -114.53 133.92 59.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.472 ' CD2' HD11 ' A' ' 21' ' ' ILE . 58.6 mt -118.57 104.53 10.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.437 ' C ' HD13 ' A' ' 19' ' ' LEU . 1.2 m -94.66 104.28 16.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.377 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 72' ' ' CYS . 19.5 t-20 -75.89 106.91 7.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.5 m -85.09 -38.39 13.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.425 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 1.7 p -49.56 155.11 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.414 1.071 . . . . 0.0 110.432 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.28 28.83 3.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' ' 50' ' ' ILE . 6.6 m-80 -149.93 139.62 21.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 103' ' ' MET . 12.3 mt -39.27 140.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.424 ' O ' ' OG ' ' A' ' 71' ' ' SER . 58.4 t -134.54 117.61 24.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.481 ' HB2' ' CD1' ' A' ' 114' ' ' LEU . . . -80.28 133.58 35.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.579 ' CE1' HD13 ' A' ' 80' ' ' ILE . 31.8 p90 -123.99 161.6 25.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.956 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.488 ' HD2' ' CE2' ' A' ' 118' ' ' TRP . 0.3 OUTLIER -154.08 148.35 25.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.333 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 80.5 t -122.13 114.3 42.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.257 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -121.27 144.8 48.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.171 . . . . 0.0 110.277 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.9 t -137.28 168.3 19.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.392 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 18.9 p -79.38 3.15 19.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 110.432 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.551 ' HB3' ' CD2' ' A' ' 63' ' ' TYR . . . -150.84 76.61 8.02 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -28.21 9.46 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.476 1.777 . . . . 0.0 111.044 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -88.99 8.93 27.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.258 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.6 mttm -119.48 -46.15 2.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.112 . . . . 0.0 109.29 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.591 ' CE2' ' CG ' ' A' ' 94' ' ' ASP . 44.1 m-85 -105.04 117.2 33.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 111.001 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.78 106.35 11.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.288 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.1 t -104.38 131.23 53.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.485 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.0 OUTLIER -162.98 129.12 2.31 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.485 ' C ' ' HA ' ' A' ' 66' ' ' LYS . 18.3 Cg_endo -75.03 141.53 72.03 Favored 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 120.998 -2.501 . . . . 0.0 110.982 0.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 87.5 p -113.58 24.76 11.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 110.018 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 62.1 t-20 179.8 109.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.9 -163.65 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.488 1.118 . . . . 0.0 110.031 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.477 ' HB3' ' CG2' ' A' ' 109' ' ' THR . 3.7 t -136.93 167.99 20.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 0.0 110.03 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.443 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 51.7 t -129.41 122.85 30.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 108.307 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -55.66 161.26 3.32 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 134.71 18.14 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.495 1.787 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.67 38.13 51.16 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -143.66 179.95 6.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 0.746 . . . . 0.0 109.303 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.3 p -140.84 135.01 30.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.043 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.459 ' CG2' ' HB2' ' A' ' 43' ' ' LEU . 1.1 tt -105.21 172.27 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.405 ' O ' ' HD2' ' A' ' 67' ' ' PRO . 5.5 m-20 -131.73 125.28 31.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.579 HD13 ' CE1' ' A' ' 53' ' ' PHE . 4.0 mm -120.56 107.75 21.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.474 HD11 ' CD2' ' A' ' 40' ' ' LEU . 2.0 mp -79.42 143.93 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.547 HG11 ' CZ ' ' A' ' 96' ' ' PHE . 53.9 t -134.47 97.68 2.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.1 t -119.3 135.87 24.21 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.995 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -176.53 2.93 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.495 1.787 . . . . 0.0 110.974 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.4 ' CB ' ' HB2' ' A' ' 88' ' ' LEU . 1.0 OUTLIER -49.58 177.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.579 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -40.06 -42.23 2.25 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.525 1.141 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -155.74 41.0 0.59 Allowed Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.4 ' HB2' ' CB ' ' A' ' 85' ' ' HIS . 0.9 OUTLIER -72.28 -160.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 0.762 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.415 ' OG1' ' N ' ' A' ' 90' ' ' VAL . 0.0 OUTLIER -135.88 168.93 18.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.419 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.527 HG21 ' CE1' ' A' ' 29' ' ' PHE . 2.4 p -139.65 84.44 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.02 -162.6 0.62 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.972 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -98.8 27.15 5.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -108.69 -26.68 10.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.591 ' CG ' ' CE2' ' A' ' 63' ' ' TYR . 1.6 t0 -85.6 128.42 34.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.68 142.04 46.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.293 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.547 ' CZ ' HG11 ' A' ' 82' ' ' VAL . 39.2 m-85 -108.18 154.74 21.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 56' ' ' ARG . 2.9 tm? -138.15 144.99 41.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.562 ' CG2' ' CD1' ' A' ' 21' ' ' ILE . 4.7 mt -136.74 131.84 47.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.587 ' HE3' ' CZ3' ' A' ' 118' ' ' TRP . 3.3 mtp -110.03 152.2 26.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.941 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -159.45 117.0 2.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.421 ' HB1' ' CZ ' ' A' ' 117' ' ' PHE . . . -127.44 135.97 51.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -69.44 117.27 10.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.281 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.576 ' HG2' ' CE1' ' A' ' 117' ' ' PHE . 0.0 OUTLIER -97.8 172.34 7.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.958 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -64.71 -141.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.252 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.422 ' HG3' ' N ' ' A' ' 106' ' ' SER . 19.3 pt20 -111.58 -44.2 3.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.298 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.422 ' N ' ' HG3' ' A' ' 105' ' ' GLN . 0.5 OUTLIER -90.58 120.68 31.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.011 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -171.97 136.81 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.989 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.403 ' O ' ' OG1' ' A' ' 109' ' ' THR . . . -86.67 -5.63 81.35 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.512 1.132 . . . . 0.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.536 ' C ' ' CD2' ' A' ' 114' ' ' LEU . 38.2 p 46.2 30.77 1.04 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 0.737 . . . . 0.0 110.396 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.497 ' O ' HD23 ' A' ' 114' ' ' LEU . . . -82.75 -167.17 40.38 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.514 1.134 . . . . 0.0 111.029 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -20.14 17.14 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.52 1.8 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -93.48 -64.27 1.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 112' ' ' ALA . 3.2 mm-40 -38.41 -49.61 1.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.316 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.536 ' CD2' ' C ' ' A' ' 109' ' ' THR . 2.5 mm? -53.52 -70.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 114' ' ' LEU . 0.3 OUTLIER -38.76 -43.88 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.008 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -56.87 -62.39 1.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 110.276 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.576 ' CE1' ' HG2' ' A' ' 103' ' ' MET . 23.1 t80 -56.58 -37.47 70.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 111.028 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . 0.587 ' CZ3' ' HE3' ' A' ' 99' ' ' MET . 87.9 m95 -72.03 -12.31 61.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 108.027 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.21 -23.62 17.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -98.61 -42.96 7.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.512 ' CG1' ' O ' ' A' ' 117' ' ' PHE . 9.7 p -69.38 124.18 89.93 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.563 ' HG2' ' CG ' ' A' ' 125' ' ' LYS . 18.4 Cg_endo -74.96 166.57 28.94 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.508 1.794 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.515 ' C ' ' CD ' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -79.26 -1.19 35.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . 0.505 ' N ' ' HD2' ' A' ' 123' ' ' ARG . 0.6 OUTLIER -102.77 -3.49 26.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.563 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 34.8 mmtt -109.25 -28.15 9.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.577 HG21 ' CH2' ' A' ' 118' ' ' TRP . 4.4 p -90.61 140.26 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' MET . . . . . 0.469 ' HG2' ' N ' ' A' ' 128' ' ' GLU . 63.1 ttp -79.73 155.49 27.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.469 ' N ' ' HG2' ' A' ' 127' ' ' MET . 50.2 mt-10 -135.18 121.38 20.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.281 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . 0.559 ' ND1' ' CD2' ' A' ' 14' ' ' PHE . 73.0 t60 -122.88 124.46 43.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.602 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -101.44 121.62 42.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.491 HD23 ' CD2' ' A' ' 129' ' ' HIS . 0.2 OUTLIER -92.53 145.15 24.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.235 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -117.17 150.26 39.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 3.9 m -88.38 132.65 34.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 108.264 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -96.25 83.43 3.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.541 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 76.4 p -115.3 -168.43 1.39 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.334 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 9.9 p -110.07 167.87 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -94.08 172.32 8.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.265 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -148.63 176.65 10.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.006 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 31.4 m -136.01 173.58 11.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.988 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.7 151.13 73.72 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 134.33 17.73 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.537 1.809 . . . . 0.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 24.8 t30 55.55 168.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.6 143.55 23.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.022 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 2.5 pp -51.15 -41.85 60.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.05 142.27 44.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 35.2 mt -54.12 100.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 66.6 p -177.31 161.59 1.82 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 0.0 110.0 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 96.71 120.99 3.97 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 169.38 22.75 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.503 1.791 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 32.9 p -115.72 162.6 17.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.959 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 15.6 p -168.58 167.99 11.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 109.995 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 179.974 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.8 t -177.12 116.86 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.775 . . . . 0.0 109.969 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.7 p -47.62 -59.15 3.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.983 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.27 154.76 31.25 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.455 1.097 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -77.87 156.71 30.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 0.742 . . . . 0.0 109.974 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 m -46.2 110.11 0.24 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.97 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.71 105.18 0.19 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.519 1.137 . . . . 0.0 110.969 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.74 -161.15 1.0 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 0.77 . . . . 0.0 109.269 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.67 156.23 80.57 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.324 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 100.08 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.518 1.799 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.33 158.83 3.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.1 m -136.79 142.49 42.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.028 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.404 ' CG2' ' OG ' ' A' ' 22' ' ' SER . 52.9 t -127.48 125.55 65.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.413 ' O ' ' N ' ' A' ' 16' ' ' GLY . 59.7 t80 -73.73 95.25 2.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 110.936 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.612 ' CG ' ' CE1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -65.43 79.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.616 ' N ' ' CD2' ' A' ' 20' ' ' HIS . . . -61.56 161.44 26.92 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.486 1.116 . . . . 0.0 110.965 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -18.2 18.88 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.515 1.797 . . . . 0.0 111.024 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.469 ' O ' ' O ' ' A' ' 46' ' ' VAL . 3.1 mt -128.37 -69.05 0.74 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.409 HD12 ' N ' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -107.51 125.36 51.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.132 . . . . 0.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.616 ' CD2' ' N ' ' A' ' 16' ' ' GLY . 13.4 m170 -85.8 123.89 31.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.607 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.463 ' CD1' ' HB3' ' A' ' 129' ' ' HIS . 28.6 mt -95.86 160.5 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.441 ' HA ' ' C ' ' A' ' 23' ' ' PRO . 0.4 OUTLIER -157.67 128.81 3.72 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.015 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.441 ' C ' ' HA ' ' A' ' 22' ' ' SER . 18.2 Cg_endo -75.0 -164.04 3.42 Favored 'Cis proline' 0 C--N 1.36 1.176 0 C-N-CA 120.965 -2.515 . . . . 0.0 111.049 -0.049 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.38 -91.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.503 ' HG3' ' CE1' ' A' ' 129' ' ' HIS . 27.1 mt-10 -132.71 62.85 1.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.345 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.412 ' O ' ' HG2' ' A' ' 23' ' ' PRO . 0.0 OUTLIER -162.07 102.85 1.13 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 110.316 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.469 ' HG ' ' CG2' ' A' ' 39' ' ' THR . 1.6 tp -99.43 119.62 38.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.572 ' CE1' ' HB3' ' A' ' 134' ' ' HIS . 1.7 m-85 -109.04 98.79 8.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.427 ' CZ ' HD23 ' A' ' 27' ' ' LEU . 88.7 m-85 -84.93 91.71 8.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.978 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 177.21 111.8 0.3 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 70.0 m -108.39 158.26 17.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 0.728 . . . . 0.0 109.999 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.4 tt -64.27 -27.01 41.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -69.91 155.99 39.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.103 . . . . 0.0 110.289 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.68 26.6 3.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.023 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -85.37 -87.93 0.93 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -147.16 144.64 29.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 0.794 . . . . 0.0 110.281 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -81.16 87.98 6.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.166 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.423 ' C ' ' CD ' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -123.98 151.14 44.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.469 ' CG2' ' HG ' ' A' ' 27' ' ' LEU . 2.3 t -116.43 159.95 21.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.408 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.502 HD11 ' N ' ' A' ' 41' ' ' ILE . 2.2 tp -133.07 118.1 18.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.502 ' N ' HD11 ' A' ' 40' ' ' LEU . 33.7 mt -89.7 144.01 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 t -113.66 139.99 36.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.461 ' HB2' ' CG2' ' A' ' 78' ' ' ILE . 41.3 mt -124.91 105.11 8.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.367 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.406 ' C ' HD13 ' A' ' 19' ' ' LEU . 2.0 m -90.39 98.81 11.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.442 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 73' ' ' ASP . 25.3 t-20 -45.66 101.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.735 ' CG1' ' O ' ' A' ' 46' ' ' VAL . 1.6 t -103.49 67.23 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.088 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.518 ' CG2' ' O ' ' A' ' 46' ' ' VAL . 25.4 p -157.77 174.75 14.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.385 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.402 ' O ' ' CG ' ' A' ' 49' ' ' ASN . 0.0 OUTLIER -104.97 20.7 18.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.243 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.402 ' CG ' ' O ' ' A' ' 48' ' ' LYS . 9.8 m-80 -163.45 155.42 17.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.429 1.081 . . . . 0.0 109.341 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 17.9 mt -43.09 147.42 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.496 ' CG2' ' OG1' ' A' ' 47' ' ' THR . 71.2 t -134.27 120.6 34.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.442 ' HA ' ' CB ' ' A' ' 71' ' ' SER . . . -88.29 123.05 32.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.589 ' CE2' HD13 ' A' ' 80' ' ' ILE . 47.1 p90 -117.01 164.4 14.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 111.027 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.513 ' HG3' ' CZ2' ' A' ' 118' ' ' TRP . 22.7 mttt -151.98 147.04 26.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 88.4 t -114.4 122.11 67.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -123.03 173.8 7.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -172.36 161.5 5.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.398 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 25.5 p -77.92 1.63 19.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.389 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.456 ' CB ' ' HD3' ' A' ' 62' ' ' LYS . . . -154.47 74.75 5.9 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.25 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -4.0 14.75 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.491 1.785 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -105.4 19.62 20.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 110.266 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.456 ' HD3' ' CB ' ' A' ' 59' ' ' ALA . 1.8 mtpm? -131.92 -45.11 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.596 ' CE2' ' OD2' ' A' ' 94' ' ' ASP . 68.9 m-85 -101.41 125.2 48.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -87.78 96.47 10.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.108 . . . . 0.0 110.317 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.486 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 0.7 OUTLIER -96.78 116.64 39.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.434 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.0 OUTLIER -148.27 125.41 5.59 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.464 ' HD2' ' CD1' ' A' ' 80' ' ' ILE . 18.3 Cg_endo -75.0 159.22 98.34 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 121.027 -2.489 . . . . 0.0 110.994 0.035 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.461 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 73.8 p -113.96 -30.75 6.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.002 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 -133.42 100.69 4.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -162.94 -178.23 5.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.972 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.442 ' CB ' ' HA ' ' A' ' 52' ' ' ALA . 66.6 p -137.09 152.94 50.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.989 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.444 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 41.0 t -118.77 143.16 47.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 108.32 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.466 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 0.7 OUTLIER -77.08 168.95 23.8 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 124.75 8.87 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.56 1.821 . . . . 0.0 110.983 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 85.1 38.16 9.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.463 1.102 . . . . 0.0 110.988 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -143.57 169.55 17.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 0.777 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.1 p -135.03 134.65 40.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.988 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.461 ' CG2' ' HB2' ' A' ' 43' ' ' LEU . 0.7 OUTLIER -105.62 171.39 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.424 ' CA ' HD13 ' A' ' 40' ' ' LEU . 3.3 p-10 -132.13 121.96 24.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.589 HD13 ' CE2' ' A' ' 53' ' ' PHE . 4.7 mm -115.3 96.66 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.6 mp -73.84 122.44 26.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.476 ' CG1' ' CZ ' ' A' ' 96' ' ' PHE . 60.8 t -113.21 99.8 9.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.1 p -117.63 133.38 23.3 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.999 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 176.35 10.02 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.481 1.78 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -55.67 166.31 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.616 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -97.0 40.7 2.49 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -160.46 -43.16 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.3 pp -90.57 -171.91 3.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 0.752 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.404 ' OG1' ' N ' ' A' ' 90' ' ' VAL . 0.7 OUTLIER -134.99 170.64 15.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.393 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.404 ' N ' ' OG1' ' A' ' 89' ' ' THR . 2.3 p -91.17 132.32 35.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.3 t -128.65 175.47 8.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.005 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -90.73 39.18 0.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -112.68 -26.9 8.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.596 ' OD2' ' CE2' ' A' ' 63' ' ' TYR . 0.5 OUTLIER -97.32 172.49 7.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.355 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.43 ' HG3' ' N ' ' A' ' 96' ' ' PHE . 4.7 tpp180 -149.77 143.45 25.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.476 ' CZ ' ' CG1' ' A' ' 82' ' ' VAL . 28.8 m-85 -105.5 154.48 20.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.964 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.451 ' CD1' ' HG3' ' A' ' 99' ' ' MET . 2.0 tm? -137.68 139.97 40.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.439 HG22 ' CD1' ' A' ' 21' ' ' ILE . 2.7 mt -127.97 132.52 68.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.591 ' HE1' ' CH2' ' A' ' 118' ' ' TRP . 13.2 mtp -110.5 155.74 21.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -162.62 117.34 1.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.476 ' HB3' ' CB ' ' A' ' 126' ' ' VAL . . . -129.73 133.64 47.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.34 129.0 38.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.532 ' CG ' ' CZ ' ' A' ' 117' ' ' PHE . 10.0 mtp -97.04 171.77 8.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -74.97 -170.87 1.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -49.06 -95.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.285 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.02 107.34 19.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.008 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 16.5 m -127.97 125.87 40.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.408 1.067 . . . . 0.0 110.031 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -60.88 130.0 47.29 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.504 1.127 . . . . 0.0 111.024 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 61.6 p -98.47 55.84 1.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 0.75 . . . . 0.0 110.43 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -110.25 -175.49 20.74 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.536 1.148 . . . . 0.0 111.01 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -15.79 20.51 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.515 1.797 . . . . 0.0 110.981 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -92.11 -70.49 0.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 112' ' ' ALA . 2.7 mm-40 -37.0 -46.89 0.68 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 95.9 mt -61.82 -66.01 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.9 t -38.1 -39.0 0.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.045 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -74.65 -53.17 9.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.302 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.532 ' CZ ' ' CG ' ' A' ' 103' ' ' MET . 91.9 t80 -58.67 -27.35 64.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . 0.591 ' CH2' ' HE1' ' A' ' 99' ' ' MET . 58.2 m95 -82.85 -14.4 54.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 107.992 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.422 ' C ' ' HD3' ' A' ' 119' ' ' LYS . 0.0 OUTLIER -94.69 -20.35 19.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -96.51 -43.78 7.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.521 ' CG1' ' O ' ' A' ' 117' ' ' PHE . 9.2 p -70.14 120.18 76.5 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.128 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.511 ' HG2' ' CG ' ' A' ' 125' ' ' LYS . 18.2 Cg_endo -75.05 178.9 6.66 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.487 1.783 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.419 ' HA ' ' CG1' ' A' ' 126' ' ' VAL . 0.0 OUTLIER -84.98 0.92 49.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 110.327 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -101.2 -14.96 17.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.511 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 25.4 mmtt -102.62 -27.69 12.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.578 HG22 ' CZ3' ' A' ' 118' ' ' TRP . 14.2 p -94.21 137.53 22.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 109.342 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' MET . . . . . 0.462 ' SD ' ' N ' ' A' ' 128' ' ' GLU . 18.5 tmm? -80.69 151.57 28.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.462 ' N ' ' SD ' ' A' ' 127' ' ' MET . 58.4 mt-10 -138.13 128.37 25.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . 0.503 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 73.3 t60 -136.21 125.75 25.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.61 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -97.41 123.39 41.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.277 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.35 150.3 20.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.497 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -124.9 146.67 49.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.333 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 20.0 p -86.49 143.33 27.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 108.322 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.572 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -109.03 62.79 0.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.569 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 62.6 p -38.63 152.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.366 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 28.5 m -57.26 176.36 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.11 170.07 8.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 9.7 t -45.0 -62.18 1.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.006 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.76 123.6 7.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.968 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -109.73 154.33 42.54 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 172.21 16.8 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.519 1.799 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -159.6 115.96 2.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 30.6 t -156.93 107.23 2.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.992 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.65 172.6 6.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 2.3 ttp -157.09 152.76 26.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.978 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.83 142.56 27.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 14.3 p -139.3 149.22 43.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.424 1.077 . . . . 0.0 109.972 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -75.79 -172.92 33.64 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.463 1.102 . . . . 0.0 111.023 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 166.81 28.35 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.454 1.765 . . . . 0.0 110.974 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.96 144.49 50.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.005 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.58 96.82 4.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.035 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 0.0 111.03 -179.983 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.0 p -159.88 116.3 2.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 0.744 . . . . 0.0 109.984 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 t -47.07 -61.96 1.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.992 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.23 86.83 0.06 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.6 m -155.73 118.46 4.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 0.753 . . . . 0.0 109.959 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.4 m -111.01 81.91 1.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.996 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.22 168.87 0.26 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.528 1.142 . . . . 0.0 111.062 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -143.95 42.78 1.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 0.736 . . . . 0.0 109.332 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.87 162.02 58.26 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 168.47 24.76 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.489 1.783 . . . . 0.0 111.011 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.33 174.94 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.9 p -114.12 152.59 30.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.982 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 67.2 t -140.04 123.24 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.679 ' CD2' ' ND1' ' A' ' 129' ' ' HIS . 18.5 t80 -73.51 95.13 2.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.546 ' HD3' ' CE1' ' A' ' 20' ' ' HIS . 18.0 mmtp -60.35 99.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.465 ' H ' ' CD2' ' A' ' 20' ' ' HIS . . . -85.76 157.63 31.32 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.536 1.147 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.41 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.4 Cg_endo -74.94 -17.2 19.9 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.503 1.791 . . . . 0.0 111.02 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.484 ' HA ' ' CG2' ' A' ' 47' ' ' THR . 1.2 mt -123.95 -75.91 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.504 HD12 ' CD2' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -108.99 126.47 53.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.232 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.546 ' CE1' ' HD3' ' A' ' 15' ' ' LYS . 17.3 m170 -78.6 119.0 21.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.603 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.492 HG12 ' CD2' ' A' ' 43' ' ' LEU . 40.5 mt -96.02 150.76 4.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.495 ' HA ' ' C ' ' A' ' 23' ' ' PRO . 2.5 m -147.97 141.71 15.84 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.982 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' A' ' 22' ' ' SER . 18.4 Cg_endo -74.97 -161.96 2.64 Favored 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 121.042 -2.483 . . . . 0.0 111.002 0.033 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.499 ' O ' ' NE2' ' A' ' 129' ' ' HIS . . . -81.06 -89.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -129.21 55.63 1.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.291 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.429 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 8.6 pt-20 -163.44 104.38 0.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.268 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.489 ' CD2' ' OG1' ' A' ' 39' ' ' THR . 7.8 mt -103.21 128.48 50.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -125.31 112.72 16.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 110.982 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -90.49 89.24 7.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 111.033 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 172.78 125.91 0.87 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.0 t -117.82 163.58 16.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 0.743 . . . . 0.0 109.991 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.1 mp -99.16 146.24 8.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 69.75 -63.47 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.76 -27.34 64.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.009 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.46 -148.81 51.02 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.467 1.104 . . . . 0.0 110.966 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 70.71 130.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 0.794 . . . . 0.0 110.286 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.7 mttp -92.14 70.02 5.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.44 ' HG2' ' N ' ' A' ' 39' ' ' THR . 0.0 OUTLIER -130.57 145.71 51.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.489 ' OG1' ' CD2' ' A' ' 27' ' ' LEU . 10.2 t -104.91 158.17 16.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.357 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.505 ' CD1' ' C ' ' A' ' 80' ' ' ILE . 0.5 OUTLIER -132.48 118.31 19.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.348 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.473 ' CG2' ' O ' ' A' ' 22' ' ' SER . 16.6 mt -90.7 137.38 21.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.1 t -114.48 127.6 71.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.504 ' CD2' HD12 ' A' ' 19' ' ' LEU . 32.5 mt -110.97 104.51 13.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.427 ' N ' ' O ' ' A' ' 20' ' ' HIS . 1.0 OUTLIER -93.42 105.73 17.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 110.402 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.428 ' OD1' ' OG1' ' A' ' 47' ' ' THR . 54.3 t-20 -76.33 105.23 7.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.446 ' CG2' ' O ' ' A' ' 18' ' ' LEU . 14.1 m -86.78 -39.77 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.484 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 1.5 p -50.51 162.82 0.21 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.402 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -89.69 24.64 2.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.42 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 36.2 m-80 -150.14 168.21 24.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.449 ' CG2' ' HB2' ' A' ' 71' ' ' SER . 52.3 mt -65.76 159.47 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.494 ' CG1' ' HB2' ' A' ' 19' ' ' LEU . 95.6 t -135.57 105.34 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.565 ' HB3' ' CE2' ' A' ' 117' ' ' PHE . . . -67.08 102.86 1.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.603 ' CZ ' ' HB3' ' A' ' 70' ' ' SER . 37.8 p90 -96.62 159.84 14.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.569 ' HE3' ' CD1' ' A' ' 118' ' ' TRP . 13.2 mttt -158.7 131.94 7.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.487 ' CG1' HG11 ' A' ' 65' ' ' VAL . 36.9 t -100.67 121.62 51.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -126.34 144.01 50.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.75 158.24 44.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.385 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 45.4 p -73.95 -8.04 54.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 110.352 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.455 ' CB ' ' HD3' ' A' ' 62' ' ' LYS . . . -152.34 74.14 7.46 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 0.31 9.04 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.544 1.813 . . . . 0.0 111.041 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -94.2 48.75 1.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.316 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.575 ' HA ' ' CD2' ' A' ' 85' ' ' HIS . 0.1 OUTLIER -173.51 -38.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 0.0 109.315 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.526 ' CZ ' ' HE3' ' A' ' 62' ' ' LYS . 52.2 m-85 -100.79 115.0 29.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -84.29 94.25 8.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 110.305 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.496 ' CG1' HG23 ' A' ' 82' ' ' VAL . 2.1 t -91.35 132.09 36.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.506 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.3 OUTLIER -163.44 132.99 3.09 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 66' ' ' LYS . 18.3 Cg_endo -75.03 142.89 76.07 Favored 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 120.991 -2.504 . . . . 0.0 111.018 0.064 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.6 p -112.73 28.26 8.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.975 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.404 ' O ' ' HB2' ' A' ' 70' ' ' SER . 6.5 p30 -179.82 106.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.603 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 31.2 t 175.44 -170.24 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.009 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.454 ' N ' ' OG ' ' A' ' 70' ' ' SER . 0.5 OUTLIER -138.76 135.44 34.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.986 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 49.2 t -91.05 128.69 36.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 108.309 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -69.46 160.41 79.43 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 143.27 28.93 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.475 1.776 . . . . 0.0 110.956 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.99 25.36 75.69 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -142.23 178.99 7.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 109.264 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.4 p -140.63 140.42 35.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.978 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.457 ' CG2' ' HB2' ' A' ' 43' ' ' LEU . 1.0 OUTLIER -104.57 172.06 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -132.06 123.96 28.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.576 HD13 ' CE1' ' A' ' 53' ' ' PHE . 2.0 mm -121.38 109.83 26.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.489 HD11 ' CD2' ' A' ' 40' ' ' LEU . 2.0 mp -83.55 146.82 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.526 HG12 ' CZ ' ' A' ' 96' ' ' PHE . 36.2 t -139.91 97.73 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.43 128.11 26.23 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.992 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 168.32 25.11 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.527 1.804 . . . . 0.0 111.036 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.575 ' CD2' ' HA ' ' A' ' 62' ' ' LYS . 0.9 OUTLIER -55.96 145.84 24.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.615 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -65.19 102.19 0.63 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 133.05 -74.97 0.43 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.462 ' CD2' ' HB2' ' A' ' 85' ' ' HIS . 2.4 pp -48.52 174.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 0.785 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 37.8 p -106.79 -169.12 1.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 110.381 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 1.2 m -97.13 6.19 8.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.4 m 44.91 -164.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.019 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -128.04 -45.02 1.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -66.55 -14.3 62.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.425 ' OD1' ' CE2' ' A' ' 63' ' ' TYR . 0.9 OUTLIER -64.48 102.13 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.4 tpp85 -99.29 143.19 29.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.526 ' CZ ' HG12 ' A' ' 82' ' ' VAL . 22.1 m-85 -111.04 152.66 26.62 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 56' ' ' ARG . 2.1 tm? -135.4 144.05 46.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.487 ' CG2' HD11 ' A' ' 21' ' ' ILE . 5.6 mt -136.89 123.5 29.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.127 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.603 ' HE3' ' CZ3' ' A' ' 118' ' ' TRP . 3.4 mtp -97.06 157.67 15.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -162.32 118.14 1.94 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.504 ' HB2' ' CE2' ' A' ' 117' ' ' PHE . . . -129.65 135.99 49.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.93 115.46 8.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.588 ' HG2' ' CZ ' ' A' ' 117' ' ' PHE . 0.0 OUTLIER -91.07 172.39 8.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.994 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.36 -145.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.333 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -107.2 -36.77 6.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.47 108.67 21.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.016 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 55.5 m -152.17 152.7 32.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.984 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -108.74 -3.98 32.07 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.131 . . . . 0.0 110.967 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.538 ' HA ' ' CD2' ' A' ' 114' ' ' LEU . 64.5 p 45.7 34.63 1.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 0.756 . . . . 0.0 110.366 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.57 ' O ' HD21 ' A' ' 114' ' ' LEU . . . -84.47 -169.14 45.25 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -25.33 12.04 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.52 1.8 . . . . 0.0 111.011 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.482 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -92.21 -63.05 1.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.482 ' C ' ' O ' ' A' ' 112' ' ' ALA . 3.3 mm-40 -32.33 -40.87 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.308 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.57 HD21 ' O ' ' A' ' 110' ' ' GLY . 3.6 mm? -71.38 -69.76 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.343 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 114' ' ' LEU . 0.2 OUTLIER -35.73 -33.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.018 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 114' ' ' LEU . 5.3 mm-40 -74.85 -58.55 3.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.588 ' CZ ' ' HG2' ' A' ' 103' ' ' MET . 53.1 t80 -55.44 -32.4 62.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 111.029 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . 0.603 ' CZ3' ' HE3' ' A' ' 99' ' ' MET . 79.2 m95 -74.79 -16.31 60.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 107.993 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.65 -22.41 21.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.464 ' CG ' ' N ' ' A' ' 121' ' ' VAL . 0.5 OUTLIER -98.34 -45.07 6.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 110.297 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.53 ' CG1' ' O ' ' A' ' 117' ' ' PHE . 9.6 p -72.26 120.53 80.91 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.43 1.081 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.528 ' HG2' ' CG ' ' A' ' 125' ' ' LYS . 18.2 Cg_endo -75.05 168.54 24.58 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.431 1.753 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.532 ' C ' ' CD ' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -78.36 1.71 21.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 110.296 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . 0.483 ' N ' ' HD2' ' A' ' 123' ' ' ARG . 1.1 t-20 -102.48 -10.15 19.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.528 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 32.8 mmtt -106.65 -26.78 11.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.592 HG21 ' CH2' ' A' ' 118' ' ' TRP . 7.4 p -92.22 136.69 23.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' MET . . . . . 0.41 ' SD ' ' HD2' ' A' ' 17' ' ' PRO . 35.8 ttp -79.98 143.16 34.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 111.043 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -123.6 116.72 23.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . 0.679 ' ND1' ' CD2' ' A' ' 14' ' ' PHE . 79.2 t60 -115.32 140.11 49.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 109.596 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -116.84 122.28 43.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 110.265 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.463 ' HB3' ' CD1' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -93.37 146.52 23.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 5.7 ptp180 -128.45 137.96 52.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 20.1 p -73.65 155.03 39.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 108.274 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -108.23 77.65 1.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.568 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 13.0 t -144.12 -167.48 2.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.366 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 94.6 t 65.01 126.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -176.82 117.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.54 174.91 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.979 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.32 82.83 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.994 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . 0.462 ' CG ' ' HD2' ' A' ' 141' ' ' PRO . 0.0 OUTLIER -104.29 165.37 13.48 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . 0.462 ' HD2' ' CG ' ' A' ' 140' ' ' LYS . 18.1 Cg_endo -74.99 -60.41 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.516 1.798 . . . . 0.0 111.027 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -177.58 121.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 40.55 88.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.97 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -151.52 135.3 16.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.355 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.04 171.11 15.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 111.035 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 3.9 tp 179.16 146.59 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.67 -57.84 9.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.032 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 84.14 157.53 26.05 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 139.55 24.36 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.483 1.78 . . . . 0.0 110.957 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -122.6 100.06 6.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 110.038 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.1 128.71 37.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.981 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.466 1.104 . . . . 0.0 111.001 -179.993 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.4 92.92 5.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 0.786 . . . . 0.0 110.017 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -73.91 169.26 17.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.983 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.17 62.58 0.67 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.513 1.133 . . . . 0.0 111.025 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.7 131.79 7.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 0.755 . . . . 0.0 110.059 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.7 p -45.95 152.24 0.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.026 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.61 -151.22 51.45 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.512 1.132 . . . . 0.0 110.975 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -102.14 100.35 10.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 0.771 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.49 164.26 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 153.46 42.02 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.456 1.767 . . . . 0.0 110.96 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.22 92.69 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.338 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 m -91.62 129.88 37.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.04 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -122.87 141.36 43.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -80.26 95.79 6.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.607 ' HG3' ' CE1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -53.04 98.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.448 ' H ' ' CD2' ' A' ' 20' ' ' HIS . . . -87.65 157.36 28.68 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.545 1.153 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.416 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.6 Cg_endo -74.95 -18.89 18.48 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.496 1.787 . . . . 0.0 111.031 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.469 ' HA ' ' CG2' ' A' ' 47' ' ' THR . 3.9 mt -123.52 -76.41 0.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.483 ' CD1' ' HB3' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -108.65 132.7 53.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.363 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.607 ' CE1' ' HG3' ' A' ' 15' ' ' LYS . 18.1 m170 -78.42 157.65 28.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.64 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.598 HG21 ' CD2' ' A' ' 129' ' ' HIS . 3.6 mm -125.79 146.12 32.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.433 ' HA ' ' C ' ' A' ' 23' ' ' PRO . 1.5 t -158.08 127.37 3.15 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.938 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.433 ' C ' ' HA ' ' A' ' 22' ' ' SER . 18.2 Cg_endo -75.04 -172.8 11.28 Favored 'Cis proline' 0 C--N 1.361 1.194 0 C-N-CA 121.008 -2.497 . . . . 0.0 110.981 0.001 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.458 ' O ' ' NE2' ' A' ' 129' ' ' HIS . . . -71.41 -96.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.522 ' O ' ' CG ' ' A' ' 132' ' ' ARG . 0.7 OUTLIER -122.38 54.19 1.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.291 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.444 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 0.9 OUTLIER -163.82 103.28 0.9 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.322 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.479 ' CD2' ' OG1' ' A' ' 39' ' ' THR . 10.7 mt -97.63 137.45 36.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 0.0 109.256 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -130.0 91.95 3.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.417 ' CZ ' ' CG2' ' A' ' 39' ' ' THR . 25.1 m-85 -70.82 91.16 0.82 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.122 . . . . 0.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 178.78 124.8 0.89 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.513 1.133 . . . . 0.0 110.967 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.97 163.59 12.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 0.774 . . . . 0.0 110.011 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mt -45.38 -63.02 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -53.65 165.83 0.38 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.329 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.2 m -95.43 30.67 2.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 110.006 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -97.59 -143.24 14.51 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.509 1.13 . . . . 0.0 110.979 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -47.26 162.43 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 0.779 . . . . 0.0 110.301 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -134.73 68.24 1.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.449 ' HD2' ' CG2' ' A' ' 81' ' ' ILE . 30.6 pttt -108.1 148.16 30.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.479 ' OG1' ' CD2' ' A' ' 27' ' ' LEU . 8.9 t -96.55 145.24 25.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.411 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.529 ' CD1' ' C ' ' A' ' 80' ' ' ILE . 0.7 OUTLIER -118.98 120.2 36.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.242 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.481 ' CD1' HD11 ' A' ' 98' ' ' ILE . 15.3 mt -91.16 127.51 43.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.0 t -106.54 141.8 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.483 ' HB3' ' CD1' ' A' ' 19' ' ' LEU . 2.4 mt -133.66 110.88 10.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.9 m -97.81 106.79 19.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.452 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.428 ' OD1' ' OG1' ' A' ' 47' ' ' THR . 52.5 t30 -72.73 100.66 2.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.448 HG12 ' CD2' ' A' ' 20' ' ' HIS . 12.4 m -75.28 -38.89 41.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.564 1.165 . . . . 0.0 109.344 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.469 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 2.6 p -53.89 153.18 4.93 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.49 1.119 . . . . 0.0 110.406 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.85 22.84 3.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.445 ' HB2' ' CD ' ' A' ' 102' ' ' GLU . 76.3 m-20 -137.18 159.55 41.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 27.4 mt -59.96 145.43 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.472 HG12 ' CD2' ' A' ' 19' ' ' LEU . 75.9 t -136.79 118.6 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.458 ' HA ' ' CB ' ' A' ' 71' ' ' SER . . . -88.47 120.6 30.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.574 ' CE2' HG23 ' A' ' 78' ' ' ILE . 20.9 p90 -115.3 156.85 24.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.15 . . . . 0.0 111.036 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.581 ' HG3' ' CZ2' ' A' ' 118' ' ' TRP . 8.2 mttm -144.57 119.53 9.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.256 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.466 HG13 ' CG1' ' A' ' 65' ' ' VAL . 21.5 t -97.8 119.63 46.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -127.38 172.08 10.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.5 t -153.71 170.73 20.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 110.42 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.0 p -87.25 18.73 3.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.402 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -170.88 72.98 0.55 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -12.94 21.47 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.478 1.778 . . . . 0.0 111.007 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -91.72 18.81 7.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.282 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.573 ' HA ' ' CD2' ' A' ' 85' ' ' HIS . 1.0 OUTLIER -137.12 -47.75 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.103 . . . . 0.0 109.341 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -102.35 119.67 39.21 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.84 103.17 8.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 110.255 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.466 ' CG1' HG13 ' A' ' 55' ' ' VAL . 2.9 t -100.2 124.44 53.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.512 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -163.67 133.9 3.28 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 109.308 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 66' ' ' LYS . 18.3 Cg_endo -74.99 133.76 32.89 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 120.967 -2.514 . . . . 0.0 111.016 -0.002 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.429 ' N ' ' HA ' ' A' ' 66' ' ' LYS . 82.9 p -112.57 43.85 1.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.962 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.4 p30 164.89 69.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.409 ' O ' ' O ' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -151.48 -165.0 2.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.988 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.458 ' CB ' ' HA ' ' A' ' 52' ' ' ALA . 5.5 m -138.82 172.34 13.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.031 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 35.0 t -133.17 116.21 15.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 108.277 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -55.47 162.7 2.19 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 109.285 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 136.52 20.52 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.494 1.786 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.43 16.56 73.43 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -131.15 -178.95 5.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 109.335 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.7 p -145.28 136.89 25.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 110.032 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.574 HG23 ' CE2' ' A' ' 53' ' ' PHE . 1.5 tt -106.19 159.87 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.436 ' C ' HD13 ' A' ' 80' ' ' ILE . 32.7 m-20 -131.73 118.2 19.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.263 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.599 ' CD1' ' N ' ' A' ' 80' ' ' ILE . 1.2 mp -105.4 118.9 53.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.257 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.47 HD11 ' CD2' ' A' ' 40' ' ' LEU . 2.0 mp -82.37 145.97 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.579 HG12 ' CZ ' ' A' ' 96' ' ' PHE . 47.0 t -140.53 98.27 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.16 134.91 24.1 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.004 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 167.01 27.97 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.51 1.795 . . . . 0.0 111.008 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.573 ' CD2' ' HA ' ' A' ' 62' ' ' LYS . 1.2 m-70 -52.29 166.38 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.657 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -86.67 67.73 3.39 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.491 1.119 . . . . 0.0 110.925 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 176.26 -58.74 0.11 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.9 pp -73.81 -169.23 0.69 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 0.76 . . . . 0.0 109.354 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.42 ' OG1' ' N ' ' A' ' 90' ' ' VAL . 0.0 OUTLIER -144.14 169.42 17.89 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 110.397 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.42 ' N ' ' OG1' ' A' ' 89' ' ' THR . 7.5 p -87.17 128.71 39.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.1 m -127.71 -176.91 3.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.041 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -95.21 37.18 1.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -110.67 -33.06 6.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.335 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.03 154.21 18.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.291 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.449 ' HG3' ' N ' ' A' ' 96' ' ' PHE . 0.0 OUTLIER -127.37 142.21 51.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.315 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.579 ' CZ ' HG12 ' A' ' 82' ' ' VAL . 55.5 m-85 -105.48 153.98 20.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -134.39 145.56 49.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.481 HD11 ' CD1' ' A' ' 41' ' ' ILE . 3.6 mt -136.83 126.88 39.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.305 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.582 ' HE2' ' CH2' ' A' ' 118' ' ' TRP . 16.4 mtm -107.3 155.24 20.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.041 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -162.63 119.08 1.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.569 ' HB2' ' CB ' ' A' ' 126' ' ' VAL . . . -133.75 136.15 44.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.509 ' OE1' ' N ' ' A' ' 103' ' ' MET . 0.7 OUTLIER -70.83 124.22 23.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.289 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.571 ' HG2' ' CZ ' ' A' ' 117' ' ' PHE . 0.0 OUTLIER -94.71 171.96 8.47 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.134 . . . . 0.0 111.001 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -61.85 -157.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -74.85 -99.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 110.303 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.2 m -87.53 106.54 18.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.987 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.6 m -143.51 132.63 23.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.966 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -65.38 144.97 48.28 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 30.7 p -94.7 28.3 2.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 0.778 . . . . 0.0 110.415 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -71.87 -179.83 33.31 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.453 1.096 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -12.89 21.62 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.492 1.785 . . . . 0.0 111.04 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -91.72 -70.86 0.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.259 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 112' ' ' ALA . 2.9 mm-40 -38.43 -46.47 1.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.334 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 117' ' ' PHE . 82.4 mt -60.55 -62.99 1.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 109.293 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.467 ' O ' ' CG ' ' A' ' 119' ' ' LYS . 0.6 OUTLIER -44.75 -39.95 5.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 110.013 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.534 ' HA ' ' CG ' ' A' ' 119' ' ' LYS . 1.8 mt-30 -68.04 -35.6 78.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.571 ' CZ ' ' HG2' ' A' ' 103' ' ' MET . 20.5 t80 -82.53 -23.93 34.32 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.115 . . . . 0.0 111.034 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . 0.582 ' CH2' ' HE2' ' A' ' 99' ' ' MET . 63.3 m95 -85.86 -29.01 24.05 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.534 ' CG ' ' HA ' ' A' ' 116' ' ' GLN . 0.0 OUTLIER -82.5 -16.88 47.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 0.0 109.309 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -100.28 -44.22 6.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.562 ' CG1' ' O ' ' A' ' 117' ' ' PHE . 7.1 p -69.6 120.04 74.81 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.527 ' HG2' ' CG ' ' A' ' 125' ' ' LYS . 18.3 Cg_endo -74.98 167.22 27.53 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.464 ' HA ' ' CG1' ' A' ' 126' ' ' VAL . 0.0 OUTLIER -76.97 1.16 18.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.342 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -102.63 -10.03 19.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.527 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 33.3 mmtt -107.01 -29.68 9.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.569 ' CB ' ' HB2' ' A' ' 101' ' ' ALA . 8.9 p -87.76 136.48 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' MET . . . . . 0.436 ' HG2' ' N ' ' A' ' 128' ' ' GLU . 62.4 ttp -81.11 152.21 27.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.436 ' N ' ' HG2' ' A' ' 127' ' ' MET . 49.8 mt-10 -134.09 131.12 38.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . 0.598 ' CD2' HG21 ' A' ' 21' ' ' ILE . 58.1 t60 -132.54 117.13 17.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.613 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -96.41 124.2 40.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.469 HD23 ' CD2' ' A' ' 129' ' ' HIS . 0.2 OUTLIER -92.74 155.3 17.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.522 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -126.49 144.45 50.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 13.2 t -90.2 129.03 36.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 108.269 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -96.97 125.59 41.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.589 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 46.5 p -114.56 132.06 56.46 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 110.421 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.3 p -167.55 113.94 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.317 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.2 151.55 33.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.18 -173.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.978 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 5.7 t -110.64 -61.74 1.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.994 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 1.2 mtmp? -131.19 152.38 80.51 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.514 1.134 . . . . 0.0 109.254 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -39.89 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.511 1.795 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 61.26 97.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.21 163.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.01 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.54 153.24 33.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.72 158.11 43.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . 0.459 ' CD1' ' N ' ' A' ' 147' ' ' SER . 4.6 pp -105.64 -55.03 2.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' SER . . . . . 0.459 ' N ' ' CD1' ' A' ' 146' ' ' LEU . 13.1 t 62.37 123.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.15 . . . . 0.0 110.019 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -45.79 105.12 0.08 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.537 1.148 . . . . 0.0 110.953 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 105.06 2.01 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.55 1.816 . . . . 0.0 111.045 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 1.4 t -71.58 155.35 40.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.023 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.93 -56.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 0.0 109.997 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.527 1.142 . . . . 0.0 110.973 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -160.4 118.42 2.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 0.766 . . . . 0.0 110.001 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.83 138.63 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.004 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.6 -92.98 0.11 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.449 1.093 . . . . 0.0 110.973 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -40.13 156.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 0.767 . . . . 0.0 110.004 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -149.74 115.48 5.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.983 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.63 110.31 2.63 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.456 1.098 . . . . 0.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.22 -174.02 4.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 0.769 . . . . 0.0 109.35 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.08 157.88 35.83 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.499 ' HA ' ' CE1' ' A' ' 28' ' ' TYR . 18.4 Cg_endo -75.02 106.96 2.38 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.468 1.772 . . . . 0.0 111.031 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.76 166.14 20.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.9 m 67.02 140.71 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.975 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -133.31 145.76 33.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.501 ' CD1' ' CE1' ' A' ' 129' ' ' HIS . 75.4 t80 -73.47 98.02 2.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 111.051 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.574 ' HA ' ' CG ' ' A' ' 20' ' ' HIS . 0.1 OUTLIER -67.85 62.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 14' ' ' PHE . . . -43.83 162.61 0.05 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.538 1.149 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -18.58 18.64 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.471 1.774 . . . . 0.0 110.962 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.428 ' O ' ' CG2' ' A' ' 46' ' ' VAL . 0.3 OUTLIER -127.8 -63.43 1.02 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.561 ' HB2' ' CG1' ' A' ' 51' ' ' VAL . 0.9 OUTLIER -113.95 128.22 56.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.574 ' CG ' ' HA ' ' A' ' 15' ' ' LYS . 31.6 m170 -85.43 130.56 34.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.57 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.565 HD11 ' CG2' ' A' ' 98' ' ' ILE . 2.3 mt -102.48 147.57 8.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.137 . . . . 0.0 109.364 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.447 ' HA ' ' C ' ' A' ' 23' ' ' PRO . 0.9 OUTLIER -146.69 128.08 7.35 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.001 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.447 ' C ' ' HA ' ' A' ' 22' ' ' SER . 18.2 Cg_endo -74.99 -178.16 22.64 Favored 'Cis proline' 0 C--N 1.36 1.182 0 C-N-CA 120.963 -2.516 . . . . 0.0 110.977 -0.008 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.45 ' O ' ' NE2' ' A' ' 129' ' ' HIS . . . -64.21 -75.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.488 ' HA ' ' CD2' ' A' ' 131' ' ' LEU . 3.6 pt-20 -146.55 61.07 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.308 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.445 ' CG ' ' C ' ' A' ' 25' ' ' GLU . 8.1 mt-10 -154.2 102.43 2.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.564 ' HB3' ' CE2' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -104.15 110.42 22.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.499 ' CE1' ' HA ' ' A' ' 10' ' ' PRO . 42.0 m-85 -96.49 93.42 6.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' A' ' 27' ' ' LEU . 88.1 m-85 -86.12 94.08 9.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 111.038 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 125.32 111.11 1.82 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.7 m -111.65 160.61 17.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 0.745 . . . . 0.0 110.017 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.405 ' O ' ' C ' ' A' ' 33' ' ' GLU . 1.0 OUTLIER -58.16 114.12 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 32' ' ' ILE . 5.1 pt-20 38.38 58.47 1.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.271 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.1 t -110.18 -23.45 11.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 110.001 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.9 -118.58 5.88 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.534 1.146 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -49.38 111.96 0.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.766 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.4 mttt -79.43 62.48 3.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.69 139.94 49.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 109.316 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.487 ' CG2' ' HB ' ' A' ' 82' ' ' VAL . 10.1 t -100.96 157.92 16.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.405 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.494 HD13 ' N ' ' A' ' 41' ' ' ILE . 3.4 tp -132.08 119.62 21.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.264 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.494 ' N ' HD13 ' A' ' 40' ' ' LEU . 30.6 mt -89.24 161.84 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.449 ' N ' ' CG2' ' A' ' 41' ' ' ILE . 2.1 t -135.6 131.81 51.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.507 ' CD2' HD12 ' A' ' 19' ' ' LEU . 42.1 mt -112.76 107.08 15.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.3 m -92.32 110.94 22.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.457 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' A' ' 73' ' ' ASP . 33.1 t-20 -76.43 97.87 4.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.525 HG13 ' CG ' ' A' ' 20' ' ' HIS . 33.8 m -80.5 -26.8 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.407 ' OG1' ' OD1' ' A' ' 45' ' ' ASN . 2.0 p -68.92 163.17 25.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.381 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.9 tptt -92.25 29.77 1.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 56.7 m-80 -155.23 157.32 37.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.443 HG22 ' N ' ' A' ' 51' ' ' VAL . 15.4 mt -58.47 146.36 8.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.352 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.561 ' CG1' ' HB2' ' A' ' 19' ' ' LEU . 73.0 t -120.96 106.11 17.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.546 ' O ' ' CZ2' ' A' ' 118' ' ' TRP . . . -72.57 104.74 3.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.584 ' CE2' HD11 ' A' ' 80' ' ' ILE . 43.0 p90 -104.54 162.72 13.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.983 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.56 ' HE3' ' CD1' ' A' ' 118' ' ' TRP . 13.5 mttm -150.86 133.29 15.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 65.2 t -96.53 123.12 48.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.402 ' O ' ' N ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -133.98 131.72 39.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.255 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.7 t -128.92 169.51 14.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.403 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 23.9 p -89.55 24.05 2.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.426 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.437 ' CB ' ' HD3' ' A' ' 62' ' ' LYS . . . -173.52 73.99 0.38 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -3.13 13.47 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.507 1.793 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -107.98 22.36 16.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.291 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.437 ' HD3' ' CB ' ' A' ' 59' ' ' ALA . 1.4 mtpm? -137.94 -46.48 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.62 ' CE2' ' CG ' ' A' ' 94' ' ' ASP . 27.2 m-85 -104.05 136.38 43.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -97.53 116.47 29.79 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.452 1.095 . . . . 0.0 110.261 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 0.7 OUTLIER -117.59 116.32 51.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.341 179.929 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.453 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.0 OUTLIER -150.27 126.55 5.16 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.453 ' C ' ' HA ' ' A' ' 66' ' ' LYS . 18.2 Cg_endo -75.02 157.12 99.8 Favored 'Cis proline' 0 C--N 1.359 1.113 0 C-N-CA 121.013 -2.495 . . . . 0.0 110.976 0.05 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.444 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 54.3 p -113.19 -24.27 9.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.946 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -135.7 97.15 3.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.538 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 5.7 t -162.4 -179.56 7.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.983 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.5 t -129.57 154.77 46.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.022 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 44.5 t -115.19 133.72 55.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 108.275 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.532 ' OD2' ' CB ' ' A' ' 76' ' ' ALA . 0.4 OUTLIER -72.27 162.81 71.83 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.403 ' O ' ' OD1' ' A' ' 73' ' ' ASP . 18.4 Cg_endo -75.02 135.7 19.37 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.501 1.79 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.82 13.96 83.06 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.545 1.153 . . . . 0.0 110.968 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.532 ' CB ' ' OD2' ' A' ' 73' ' ' ASP . . . -123.85 -178.98 4.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.0 p -144.43 138.18 27.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.987 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.457 ' CG2' ' HB2' ' A' ' 43' ' ' LEU . 0.9 OUTLIER -104.44 170.22 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -131.05 122.59 27.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.584 HD11 ' CE2' ' A' ' 53' ' ' PHE . 5.2 mm -116.71 97.32 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.248 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.1 mp -73.84 120.23 22.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.642 ' CG1' ' CZ ' ' A' ' 96' ' ' PHE . 61.8 t -111.62 97.33 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.585 1.178 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.29 126.79 28.2 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 110.014 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 85' ' ' HIS . 18.3 Cg_endo -75.02 179.7 5.84 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.524 1.802 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.402 ' O ' ' O ' ' A' ' 84' ' ' PRO . 0.8 OUTLIER -57.59 -161.13 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.603 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -129.55 49.37 0.93 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.521 1.138 . . . . 0.0 110.968 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 178.46 -59.28 0.09 OUTLIER Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.423 HD11 ' N ' ' A' ' 89' ' ' THR . 4.2 pp -64.88 -172.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 0.765 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.449 ' OG1' ' N ' ' A' ' 90' ' ' VAL . 2.1 t -124.62 176.76 6.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 110.441 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.451 ' CG2' ' SG ' ' A' ' 133' ' ' CYS . 3.5 m -100.91 -2.12 9.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 90' ' ' VAL . 2.2 m 38.41 -149.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.981 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -135.43 24.35 3.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -111.26 -28.4 8.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.62 ' CG ' ' CE2' ' A' ' 63' ' ' TYR . 0.6 OUTLIER -68.26 147.11 52.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.6 tpp180 -135.06 142.28 46.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.079 . . . . 0.0 110.326 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.642 ' CZ ' ' CG1' ' A' ' 82' ' ' VAL . 20.3 m-85 -109.68 112.8 25.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 56' ' ' ARG . 18.7 tp -100.05 137.87 37.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.565 ' CG2' HD11 ' A' ' 21' ' ' ILE . 3.9 mt -132.39 118.52 35.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.592 ' CE ' ' CZ3' ' A' ' 118' ' ' TRP . 30.7 mtm -89.86 161.05 16.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 0.0 111.03 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -163.82 117.27 1.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.523 ' HB3' ' CB ' ' A' ' 126' ' ' VAL . . . -126.88 133.18 50.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.41 111.18 5.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.586 ' HG2' ' CZ ' ' A' ' 117' ' ' PHE . 0.0 OUTLIER -85.66 171.71 11.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 111.009 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -70.46 -142.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 110.353 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -75.59 -156.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 10.8 m -55.24 110.96 0.76 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.028 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.411 ' CB ' ' HE3' ' A' ' 103' ' ' MET . 0.6 OUTLIER -111.81 157.97 19.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 110.011 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 109' ' ' THR . . . -58.48 -16.36 28.53 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.56 1.163 . . . . 0.0 111.031 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 108' ' ' GLY . 40.4 p 36.98 50.99 0.94 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 0.777 . . . . 0.0 110.391 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -115.48 -169.89 15.94 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.488 1.118 . . . . 0.0 111.021 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -16.37 20.05 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.529 1.805 . . . . 0.0 110.998 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -92.0 -72.88 0.57 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -38.64 -45.03 1.04 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.422 ' C ' ' N ' ' A' ' 116' ' ' GLN . 95.1 mt -62.24 -65.02 0.75 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -38.03 -32.59 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 110.065 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.422 ' N ' ' C ' ' A' ' 114' ' ' LEU . 5.0 mm-40 -76.86 -56.79 4.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.586 ' CZ ' ' HG2' ' A' ' 103' ' ' MET . 38.8 t80 -54.8 -35.3 63.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . 0.592 ' CZ3' ' CE ' ' A' ' 99' ' ' MET . 70.5 m95 -72.98 -17.05 61.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 108.024 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.34 -23.09 19.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.421 ' CG ' ' N ' ' A' ' 121' ' ' VAL . 1.0 OUTLIER -95.6 -43.54 7.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 110.309 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.512 ' CG1' ' O ' ' A' ' 117' ' ' PHE . 9.1 p -71.17 118.57 67.03 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.509 ' HG2' ' CG ' ' A' ' 125' ' ' LYS . 18.4 Cg_endo -74.94 168.87 23.87 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.493 1.786 . . . . 0.0 111.034 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.488 ' HA ' ' CG1' ' A' ' 126' ' ' VAL . 0.0 OUTLIER -76.8 1.51 17.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.288 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -102.13 -12.35 18.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.509 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 27.1 mmtt -104.67 -30.4 9.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.523 ' CB ' ' HB3' ' A' ' 101' ' ' ALA . 8.0 p -87.16 132.62 32.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' MET . . . . . . . . . . . . . 17.4 tmm? -79.63 140.31 37.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -122.19 121.98 38.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . 0.501 ' CE1' ' CD1' ' A' ' 14' ' ' PHE . 43.4 t60 -121.43 133.48 55.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.636 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 2.6 mpp_? -108.77 133.94 52.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.488 ' CD2' ' HA ' ' A' ' 25' ' ' GLU . 0.7 OUTLIER -106.34 162.41 13.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.247 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.472 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 0.7 OUTLIER -130.46 152.57 49.7 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 110.261 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' CYS . . . . . 0.451 ' SG ' ' CG2' ' A' ' 90' ' ' VAL . 6.3 t -85.66 126.32 33.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.133 . . . . 0.0 108.295 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 -95.79 74.54 3.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.604 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 9.4 p -39.09 117.22 0.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.385 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 21.4 m -95.95 175.3 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 53.18 175.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.323 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -122.77 161.58 23.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.976 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 6.2 t -58.01 138.95 55.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.973 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.52 149.46 64.8 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -56.73 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.519 1.8 . . . . 0.0 111.045 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -170.78 154.68 4.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 2.3 t -121.4 163.37 18.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.979 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.98 163.53 22.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.58 136.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 1.1 mp -132.2 69.09 1.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 98.9 p -139.61 150.26 44.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 109.95 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -65.03 -167.15 1.5 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.493 1.121 . . . . 0.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -55.11 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.481 1.779 . . . . 0.0 111.043 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 75.55 -58.77 0.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.049 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.41 -58.47 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.001 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.522 1.139 . . . . 0.0 110.958 -179.976 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.0 t -147.47 110.89 4.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 0.735 . . . . 0.0 110.009 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.8 t -178.66 121.47 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.055 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.65 160.89 29.56 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.465 1.103 . . . . 0.0 110.945 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m -83.5 167.41 17.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 0.767 . . . . 0.0 110.033 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.2 p -126.9 169.17 13.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.027 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.63 143.27 5.82 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.466 1.104 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -137.2 149.52 47.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 0.78 . . . . 0.0 109.294 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt -69.62 161.42 74.37 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.269 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 158.93 41.92 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.499 1.789 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mp -93.09 -167.53 1.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.7 m -114.79 130.78 56.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 110.001 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 43.1 t -131.77 126.96 58.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -73.99 95.45 2.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.582 ' HD3' ' CE1' ' A' ' 20' ' ' HIS . 2.5 mmtp -66.71 82.91 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.633 ' N ' ' CD2' ' A' ' 20' ' ' HIS . . . -70.36 163.84 52.72 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.407 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.4 Cg_endo -75.02 -17.22 19.67 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.53 1.805 . . . . 0.0 110.977 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 mt -125.36 -76.47 0.59 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.579 ' CD1' ' HB3' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -111.94 123.87 51.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.256 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.633 ' CD2' ' N ' ' A' ' 16' ' ' GLY . 40.0 m170 -74.95 159.01 32.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.645 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.447 ' CD1' ' CG2' ' A' ' 98' ' ' ILE . 1.2 mm -120.38 131.46 72.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 t -136.93 119.31 11.5 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.954 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.405 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 18.2 Cg_endo -75.0 -161.56 2.52 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 120.982 -2.508 . . . . 0.0 111.026 -0.058 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.75 -96.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.465 ' O ' ' CG ' ' A' ' 132' ' ' ARG . 4.4 mt-10 -124.16 62.64 1.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.405 ' O ' ' HG2' ' A' ' 23' ' ' PRO . 0.0 OUTLIER -162.44 102.72 1.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.297 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.433 ' CD2' HG21 ' A' ' 39' ' ' THR . 2.7 tp -100.11 124.45 45.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.152 . . . . 0.0 109.335 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -118.97 95.93 5.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.498 ' CZ ' HG21 ' A' ' 39' ' ' THR . 37.1 m-85 -80.84 101.55 9.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 111.034 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.46 89.01 1.69 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.521 1.138 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.0 m -107.72 122.78 47.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 0.764 . . . . 0.0 110.006 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt 69.0 -75.48 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -75.68 137.3 40.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 0.0 110.31 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.3 m -84.04 -10.84 57.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.991 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -76.13 133.73 14.64 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.483 1.114 . . . . 0.0 111.055 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 50.61 96.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 0.766 . . . . 0.0 110.31 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.3 mtpt -99.53 61.24 1.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.431 ' CB ' ' HB2' ' A' ' 83' ' ' SER . 0.0 OUTLIER -115.67 145.63 42.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.498 HG21 ' CZ ' ' A' ' 29' ' ' PHE . 10.0 t -103.96 136.42 43.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 110.418 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.455 HD12 ' N ' ' A' ' 41' ' ' ILE . 0.4 OUTLIER -112.59 117.75 33.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.47 HD11 ' CD1' ' A' ' 98' ' ' ILE . 16.7 mt -93.3 146.41 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.412 ' CG1' ' O ' ' A' ' 78' ' ' ILE . 1.8 t -131.74 140.17 48.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.604 ' CD2' ' CG2' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -123.49 147.24 47.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.402 ' C ' HD12 ' A' ' 19' ' ' LEU . 9.7 m -116.97 110.77 18.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.434 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.428 ' ND2' ' O ' ' A' ' 72' ' ' CYS . 45.6 t-20 -75.16 86.01 2.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.462 HG11 ' CE1' ' A' ' 20' ' ' HIS . 17.0 m -71.0 -28.61 33.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.8 p -66.16 158.41 28.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.375 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.36 28.11 3.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -148.68 143.91 26.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.428 HG21 ' N ' ' A' ' 51' ' ' VAL . 16.0 mt -44.99 145.51 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.495 HG13 ' CD2' ' A' ' 19' ' ' LEU . 94.9 t -128.3 122.9 58.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.522 ' O ' ' CZ2' ' A' ' 118' ' ' TRP . . . -90.02 109.53 20.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.575 ' CE2' HD11 ' A' ' 80' ' ' ILE . 51.9 p90 -102.9 160.68 14.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 111.035 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.579 ' HE3' ' CD1' ' A' ' 118' ' ' TRP . 29.8 mttm -152.29 131.08 12.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.471 ' CG1' HG12 ' A' ' 65' ' ' VAL . 46.3 t -102.03 137.62 29.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.1 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.441 ' CG ' ' HB3' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -145.62 166.41 25.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.349 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.427 ' OG1' ' N ' ' A' ' 58' ' ' THR . 0.4 OUTLIER -160.76 170.93 19.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.393 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.427 ' N ' ' OG1' ' A' ' 57' ' ' THR . 54.4 p -81.11 5.76 15.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.375 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.432 ' CB ' ' HD3' ' A' ' 62' ' ' LYS . . . -155.76 74.8 5.12 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -21.41 15.89 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.495 1.787 . . . . 0.0 110.959 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -90.27 29.07 1.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.102 . . . . 0.0 110.33 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.432 ' HD3' ' CB ' ' A' ' 59' ' ' ALA . 1.8 mtpm? -141.27 -46.32 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -105.82 122.81 46.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 111.035 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -88.96 107.13 18.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.502 ' CG1' HG23 ' A' ' 82' ' ' VAL . 3.3 t -102.31 137.2 31.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.5 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.0 OUTLIER -163.3 132.35 2.99 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 66' ' ' LYS . 18.2 Cg_endo -75.05 142.31 74.31 Favored 'Cis proline' 0 C--N 1.36 1.184 0 C-N-CA 120.967 -2.514 . . . . 0.0 110.993 0.042 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.428 ' HB3' ' O ' ' A' ' 65' ' ' VAL . 6.9 p -113.36 26.58 10.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.968 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 176.33 82.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.3 -179.64 7.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 109.986 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 97.6 p -126.6 160.98 29.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.01 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.428 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 27.6 t -120.86 139.97 52.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 108.301 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -72.39 160.09 83.69 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 125.25 9.24 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.525 1.803 . . . . 0.0 111.021 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.47 34.47 16.54 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.423 1.077 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -143.23 178.22 7.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 0.733 . . . . 0.0 109.327 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.8 p -136.77 134.43 37.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.005 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.604 ' CG2' ' CD2' ' A' ' 43' ' ' LEU . 1.2 tt -105.04 169.79 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -130.43 129.83 43.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.575 HD11 ' CE2' ' A' ' 53' ' ' PHE . 1.3 mm -122.96 103.03 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.2 mp -74.82 145.94 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.502 HG23 ' CG1' ' A' ' 65' ' ' VAL . 5.2 t -140.21 105.21 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.431 ' HB2' ' CB ' ' A' ' 38' ' ' LYS . 23.2 t -127.35 143.82 48.59 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.982 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 176.66 9.62 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.57 1.826 . . . . 0.0 110.965 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -91.89 134.41 34.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.555 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -54.49 119.48 12.44 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.539 1.15 . . . . 0.0 111.029 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 126.42 -41.94 1.56 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.0 pp -97.63 -166.27 1.36 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 0.8 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.446 ' OG1' ' N ' ' A' ' 90' ' ' VAL . 0.8 OUTLIER -148.34 173.81 12.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 110.378 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.446 ' N ' ' OG1' ' A' ' 89' ' ' THR . 94.3 t -75.4 115.21 16.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.94 -161.33 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.002 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -117.03 -45.69 2.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 109.266 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -68.74 -9.57 51.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.291 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.2 p30 -68.01 118.06 10.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.425 ' HG3' ' N ' ' A' ' 96' ' ' PHE . 5.4 tpp180 -117.87 144.8 45.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.318 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.441 ' CZ ' ' CG1' ' A' ' 82' ' ' VAL . 24.0 m-85 -110.94 154.07 24.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 111.044 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.441 ' HB3' ' CG ' ' A' ' 56' ' ' ARG . 19.1 tp -137.69 138.21 39.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.47 ' CD1' HD11 ' A' ' 41' ' ' ILE . 3.3 mt -128.5 118.92 48.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.617 ' CE ' ' CZ3' ' A' ' 118' ' ' TRP . 20.7 mtm -96.98 157.11 16.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 110.98 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -162.2 117.59 1.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 0.0 109.276 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.492 ' HB2' ' CB ' ' A' ' 126' ' ' VAL . . . -126.82 135.93 51.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -74.84 122.51 23.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.545 ' HG2' ' CE1' ' A' ' 117' ' ' PHE . 17.7 mtp -92.54 170.8 9.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.962 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -73.25 -145.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -85.62 -80.21 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.357 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.4 m -70.69 117.31 12.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.008 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 18.9 m -141.98 118.96 11.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 110.02 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -66.15 -15.29 62.84 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.452 1.095 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 46.2 p 40.83 52.07 3.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 110.408 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -120.86 -169.0 13.71 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.431 1.082 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -17.86 19.33 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.541 1.811 . . . . 0.0 111.006 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -91.74 -72.41 0.59 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 112' ' ' ALA . 3.1 mm-40 -38.15 -45.9 0.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 110.259 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 76.5 mt -61.43 -65.4 0.7 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -38.47 -38.93 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.991 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -74.82 -53.44 9.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.545 ' CE1' ' HG2' ' A' ' 103' ' ' MET . 89.8 t80 -56.23 -35.8 67.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 110.95 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . 0.617 ' CZ3' ' CE ' ' A' ' 99' ' ' MET . 68.7 m95 -73.64 -16.98 61.21 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.39 -22.74 18.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -95.1 -40.81 9.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.505 ' CG1' ' O ' ' A' ' 117' ' ' PHE . 7.6 p -73.23 118.93 72.84 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.496 ' HG2' ' CG ' ' A' ' 125' ' ' LYS . 18.4 Cg_endo -74.96 170.21 20.91 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.459 1.768 . . . . 0.0 111.033 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.527 ' C ' ' CD ' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -77.45 1.01 20.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.276 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . 0.486 ' N ' ' HD2' ' A' ' 123' ' ' ARG . 38.8 t30 -99.91 -17.43 17.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.496 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 25.5 mmtt -100.37 -28.78 12.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.586 HG22 ' CZ3' ' A' ' 118' ' ' TRP . 12.2 p -93.3 136.86 23.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' MET . . . . . 0.463 ' CE ' ' O ' ' A' ' 19' ' ' LEU . 64.4 ttp -81.37 154.76 26.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.972 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.436 ' N ' ' HG2' ' A' ' 127' ' ' MET . 27.8 mt-10 -141.06 117.17 10.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . 0.43 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 55.7 t60 -120.72 124.97 46.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.619 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 96' ' ' PHE . 3.6 mpp_? -97.85 123.25 41.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 96' ' ' PHE . 0.3 OUTLIER -94.72 157.81 15.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.465 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 0.2 OUTLIER -123.34 149.01 45.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.27 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 90.0 m -94.21 123.13 37.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 108.29 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -93.87 88.26 5.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.587 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' THR . . . . . 0.408 ' OG1' ' N ' ' A' ' 136' ' ' VAL . 12.8 t -145.23 -144.88 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.359 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.408 ' N ' ' OG1' ' A' ' 135' ' ' THR . 27.3 m -98.13 -175.32 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.245 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -136.58 172.9 12.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.94 173.76 6.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.017 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 38.0 t -147.11 110.2 4.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.998 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -135.49 154.78 78.62 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -177.73 3.67 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.506 1.793 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -118.56 -63.84 1.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.157 . . . . 0.0 109.344 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 22.7 t -151.16 -175.75 5.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.986 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -109.82 129.02 55.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 2.1 mtp -60.17 133.91 56.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . 0.427 ' O ' ' CB ' ' A' ' 147' ' ' SER . 0.3 OUTLIER -55.68 162.82 1.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 146' ' ' LEU . 0.4 OUTLIER 79.42 -70.93 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 110.016 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -157.43 144.66 10.85 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.534 1.146 . . . . 0.0 110.963 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 170.43 20.44 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.478 1.778 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 52.2 p -125.87 105.23 8.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.995 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.6 165.79 0.13 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.997 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.504 1.128 . . . . 0.0 110.978 -179.993 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t 74.82 -58.32 0.58 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 0.772 . . . . 0.0 110.012 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.12 129.58 2.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.959 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.93 174.3 46.71 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.7 p -79.45 159.01 27.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 110.057 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -159.24 142.92 14.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.454 1.096 . . . . 0.0 110.027 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.85 118.43 1.65 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.472 1.107 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -165.57 146.85 7.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 0.792 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.63 153.7 58.48 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 133.67 16.86 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.525 1.803 . . . . 0.0 110.963 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -117.34 117.15 28.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.9 m -149.43 163.07 38.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 110.026 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 71.3 t -136.05 127.4 43.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.752 ' CG ' ' CE1' ' A' ' 129' ' ' HIS . 68.0 t80 -73.86 95.46 2.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 111.024 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.581 ' HD3' ' CE1' ' A' ' 20' ' ' HIS . 23.3 mmtp -65.41 114.23 4.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.489 ' H ' ' CD2' ' A' ' 20' ' ' HIS . . . -99.06 160.25 20.06 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.492 1.12 . . . . 0.0 110.965 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.427 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.3 Cg_endo -75.09 -14.85 20.82 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.473 1.775 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.484 ' HA ' ' CG2' ' A' ' 47' ' ' THR . 2.8 mt -125.94 -75.79 0.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.449 ' CD1' ' HB3' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -108.01 139.14 43.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.1 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.581 ' CE1' ' HD3' ' A' ' 15' ' ' LYS . 17.1 m170 -86.88 156.89 19.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.568 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.493 HD12 ' CG2' ' A' ' 98' ' ' ILE . 2.9 mm -124.58 144.61 33.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.437 ' HA ' ' C ' ' A' ' 23' ' ' PRO . 6.7 t -155.41 127.35 3.85 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.022 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.437 ' C ' ' HA ' ' A' ' 22' ' ' SER . 18.2 Cg_endo -75.01 -176.69 18.6 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 120.953 -2.52 . . . . 0.0 110.994 -0.011 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.93 -93.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -132.7 60.57 1.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 110.283 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' A' ' 23' ' ' PRO . 2.2 pt-20 -163.11 103.8 0.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.8 mt -99.5 142.95 30.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.452 ' CE1' ' HB3' ' A' ' 134' ' ' HIS . 2.1 m-85 -132.56 97.84 4.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -84.86 87.65 7.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 149.21 127.51 1.58 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.3 m -109.76 158.14 18.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.531 0.783 . . . . 0.0 109.996 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 24.0 mt -50.39 -37.07 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.13 -176.66 1.2 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 110.249 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.0 p -101.42 29.46 4.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.028 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.81 -132.25 0.03 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -120.33 159.03 25.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 0.749 . . . . 0.0 110.298 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.5 mtmt -91.44 70.24 5.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.484 ' HG2' ' N ' ' A' ' 39' ' ' THR . 0.3 OUTLIER -130.25 141.14 50.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.355 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.484 ' N ' ' HG2' ' A' ' 38' ' ' LYS . 9.2 t -108.92 144.81 36.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.386 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.531 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -118.52 117.1 28.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.451 ' N ' ' CD1' ' A' ' 40' ' ' LEU . 72.4 mt -91.3 135.34 27.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.6 t -107.57 142.07 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.482 ' HA ' ' O ' ' A' ' 20' ' ' HIS . 18.4 mt -127.37 106.48 9.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.414 ' C ' HD12 ' A' ' 19' ' ' LEU . 1.0 OUTLIER -97.99 108.04 20.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.393 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 29.5 t30 -76.24 113.35 13.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.482 HG12 ' CD2' ' A' ' 20' ' ' HIS . 22.3 m -89.45 -30.47 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.484 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 1.0 OUTLIER -65.02 151.54 45.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.403 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.3 28.89 1.79 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.505 ' HB2' ' CD ' ' A' ' 102' ' ' GLU . 83.2 m-20 -144.25 137.48 27.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.426 HG23 ' N ' ' A' ' 51' ' ' VAL . 10.0 mt -42.01 137.88 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.085 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.426 ' N ' HG23 ' A' ' 50' ' ' ILE . 53.3 t -130.71 125.3 58.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.583 ' HB3' ' CE2' ' A' ' 117' ' ' PHE . . . -87.19 128.63 35.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.593 ' CE1' HD13 ' A' ' 80' ' ' ILE . 38.7 p90 -118.06 158.8 24.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.539 ' HD2' ' CD2' ' A' ' 118' ' ' TRP . 8.2 mttm -150.27 148.59 29.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 91.9 t -115.8 111.5 35.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 44.9 mtt-85 -108.13 169.92 8.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.307 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.4 t -172.35 166.74 5.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.425 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 40.2 p -86.61 14.54 6.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 110.366 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -162.76 74.52 2.05 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -7.64 19.37 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.492 1.785 . . . . 0.0 110.976 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -109.14 32.61 4.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 110.289 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.569 ' HA ' ' CD2' ' A' ' 85' ' ' HIS . 24.5 mtpt -144.56 -46.14 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -101.36 122.29 43.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -79.44 97.63 6.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 110.345 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.484 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 0.6 OUTLIER -101.14 116.4 44.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.509 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.4 OUTLIER -156.92 132.73 5.83 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 66' ' ' LYS . 18.4 Cg_endo -75.01 147.4 89.19 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 121.049 -2.479 . . . . 0.0 110.973 0.068 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.482 ' CB ' HG23 ' A' ' 65' ' ' VAL . 1.9 p -112.99 -0.15 14.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 110.038 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.405 ' O ' ' HB2' ' A' ' 70' ' ' SER . 5.2 p30 -155.0 113.0 3.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 69' ' ' ASN . 0.1 OUTLIER 172.32 -165.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.998 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.462 ' HB3' ' CG2' ' A' ' 109' ' ' THR . 0.0 OUTLIER -138.93 160.54 39.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.017 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 28.1 t -121.59 116.93 25.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 108.289 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -46.92 160.47 0.33 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 121.52 6.63 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.455 1.766 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.11 41.3 8.11 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.431 1.082 . . . . 0.0 111.037 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -142.9 179.72 6.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 0.758 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.4 p -139.13 132.38 29.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.008 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.457 ' CG2' ' HB2' ' A' ' 43' ' ' LEU . 0.9 OUTLIER -104.94 171.82 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.442 ' CA ' HD11 ' A' ' 40' ' ' LEU . 69.3 m-20 -131.49 122.13 25.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.593 HD13 ' CE1' ' A' ' 53' ' ' PHE . 3.2 mm -116.56 104.44 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.444 ' CG2' ' HD2' ' A' ' 38' ' ' LYS . 2.6 mp -76.9 145.75 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.578 HG12 ' CZ ' ' A' ' 96' ' ' PHE . 95.6 t -139.85 99.44 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.7 t -120.85 130.92 24.63 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.03 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 168.54 24.6 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.569 ' CD2' ' HA ' ' A' ' 62' ' ' LYS . 2.7 m-70 -62.85 137.53 58.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 109.618 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -64.74 85.55 0.07 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 163.52 -70.9 0.2 Allowed Glycine 0 CA--C 1.53 1.03 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.424 ' CD2' ' HE3' ' A' ' 62' ' ' LYS . 2.4 pp -54.01 -178.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 0.8 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.423 ' OG1' ' N ' ' A' ' 90' ' ' VAL . 0.1 OUTLIER -122.83 170.75 9.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.392 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.423 ' N ' ' OG1' ' A' ' 89' ' ' THR . 39.2 t -98.17 106.1 18.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.128 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.1 m -106.79 168.74 8.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.965 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -92.24 35.85 1.0 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.108 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -108.92 -24.91 11.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.12 . . . . 0.0 110.268 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -84.85 162.58 19.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.18 152.31 37.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.578 ' CZ ' HG12 ' A' ' 82' ' ' VAL . 48.5 m-85 -117.82 152.54 35.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -137.22 103.79 5.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.493 ' CG2' HD12 ' A' ' 21' ' ' ILE . 3.7 mt -92.09 132.2 37.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.608 ' HE3' ' CZ3' ' A' ' 118' ' ' TRP . 27.4 mtm -111.42 155.03 23.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.401 ' HB2' ' CB ' ' A' ' 19' ' ' LEU . . . -158.73 117.15 2.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.337 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.42 ' HB3' ' HB ' ' A' ' 126' ' ' VAL . . . -129.69 139.65 51.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.505 ' CD ' ' HB2' ' A' ' 49' ' ' ASN . 0.7 OUTLIER -69.73 127.36 32.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 110.281 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.615 ' CG ' ' CZ ' ' A' ' 117' ' ' PHE . 16.6 mtp -96.64 171.94 8.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 111.028 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 103' ' ' MET . 3.2 mt-10 -60.57 -135.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.298 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.87 -81.57 0.49 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 110.274 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.5 m -94.46 104.22 16.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.031 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.49 145.14 36.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.023 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -87.88 140.16 16.27 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.556 1.16 . . . . 0.0 110.986 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.516 ' HA ' ' CD2' ' A' ' 114' ' ' LEU . 19.4 p -93.53 60.09 3.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 0.772 . . . . 0.0 110.411 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.532 ' O ' ' CD2' ' A' ' 114' ' ' LEU . . . -103.34 -174.3 26.18 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -18.83 18.43 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.516 1.798 . . . . 0.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.466 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -92.67 -72.58 0.59 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' A' ' 112' ' ' ALA . 4.7 mm-40 -34.0 -40.47 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 110.326 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.532 ' CD2' ' O ' ' A' ' 110' ' ' GLY . 4.4 mm? -66.48 -69.83 0.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.6 t -43.17 -44.46 5.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.966 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.485 ' HA ' ' CG ' ' A' ' 119' ' ' LYS . 1.4 mt-30 -63.56 -35.13 79.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.615 ' CZ ' ' CG ' ' A' ' 103' ' ' MET . 84.1 t80 -85.62 -20.92 28.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . 0.608 ' CZ3' ' HE3' ' A' ' 99' ' ' MET . 63.1 m95 -89.06 -27.72 20.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 108.008 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.485 ' CG ' ' HA ' ' A' ' 116' ' ' GLN . 0.0 OUTLIER -80.49 -20.87 42.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -95.67 -45.68 6.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.285 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.519 ' CG1' ' O ' ' A' ' 117' ' ' PHE . 6.9 p -69.69 121.23 81.81 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.527 ' HG2' ' CG ' ' A' ' 125' ' ' LYS . 18.3 Cg_endo -74.99 166.78 28.49 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.518 1.799 . . . . 0.0 110.969 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.483 ' HA ' ' CG1' ' A' ' 126' ' ' VAL . 0.0 OUTLIER -76.79 1.59 16.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -102.29 -9.63 20.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.527 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 29.5 mmtt -106.99 -22.68 12.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.566 HG23 ' CH2' ' A' ' 118' ' ' TRP . 7.6 p -97.29 144.66 10.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' MET . . . . . 0.427 ' SD ' ' HD2' ' A' ' 17' ' ' PRO . 34.1 ttp -85.03 119.37 25.35 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.142 . . . . 0.0 111.053 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -101.12 122.27 43.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 110.288 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . 0.752 ' CE1' ' CG ' ' A' ' 14' ' ' PHE . 36.9 t60 -127.96 119.55 25.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.568 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.88 138.86 31.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.328 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.489 ' CD1' ' CD1' ' A' ' 98' ' ' ILE . 0.3 OUTLIER -118.92 145.79 45.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 109.362 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -113.57 160.83 18.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 77.5 m -111.46 125.13 53.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 108.317 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.452 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -90.14 132.26 35.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.568 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 71.5 p -124.79 157.74 35.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.35 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 54.4 t -137.64 113.57 11.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 64.5 124.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 110.311 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 11.9 t -78.89 118.0 20.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.953 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.54 158.56 17.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.992 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 62.77 154.97 0.12 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 177.93 7.94 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.494 1.786 . . . . 0.0 110.962 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -60.19 141.01 56.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.71 155.08 33.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.99 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 4.6 mm? 62.03 142.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.91 161.48 41.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 111.04 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 56.3 tp -78.95 133.95 36.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.13 -60.78 1.79 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.564 1.165 . . . . 0.0 110.0 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -170.29 102.48 0.18 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.477 1.111 . . . . 0.0 111.022 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 174.42 12.82 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.487 1.783 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 71.68 142.15 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.995 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 17.0 m -149.82 98.92 2.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.155 . . . . 0.0 109.982 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.515 1.134 . . . . 0.0 111.037 179.973 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.1 p -148.1 114.17 5.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 0.789 . . . . 0.0 109.994 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.8 t -115.52 142.57 46.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.032 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.25 85.02 0.2 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.502 1.126 . . . . 0.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.76 -65.02 0.88 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 0.759 . . . . 0.0 109.99 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 55.28 84.61 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.995 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.92 150.94 6.52 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.466 1.104 . . . . 0.0 111.016 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.79 141.99 46.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.62 157.56 0.57 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -174.43 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.475 1.776 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -151.15 157.46 42.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.0 p -110.97 141.68 44.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.996 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.0 t -136.92 120.37 22.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.459 ' CD2' ' ND1' ' A' ' 129' ' ' HIS . 34.8 t80 -73.37 95.1 2.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.978 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.46 ' HD3' ' ND1' ' A' ' 20' ' ' HIS . 22.2 mmtp -62.29 106.82 0.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.481 ' H ' ' CD2' ' A' ' 20' ' ' HIS . . . -92.96 159.6 24.61 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.554 1.159 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.447 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.3 Cg_endo -74.98 -15.59 20.71 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.493 1.786 . . . . 0.0 111.02 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.448 ' HA ' ' CG2' ' A' ' 47' ' ' THR . 0.3 OUTLIER -127.24 -73.6 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.274 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -108.26 127.36 53.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.563 ' CD2' HG12 ' A' ' 46' ' ' VAL . 13.8 m170 -79.94 127.4 32.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.642 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.665 ' CG2' ' CD2' ' A' ' 129' ' ' HIS . 1.4 mm -95.53 143.79 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.47 ' HA ' ' C ' ' A' ' 23' ' ' PRO . 0.3 OUTLIER -152.05 131.0 6.52 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 109.975 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.536 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 18.4 Cg_endo -74.95 -161.13 2.38 Favored 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 121.052 -2.478 . . . . 0.0 111.04 -0.085 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.25 -107.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.441 ' HB2' ' CD ' ' A' ' 132' ' ' ARG . 0.9 OUTLIER -105.07 65.23 0.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.587 1.179 . . . . 0.0 110.263 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.536 ' O ' ' HG2' ' A' ' 23' ' ' PRO . 7.9 pt-20 -163.0 144.58 9.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.429 1.081 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.493 HD13 ' CD1' ' A' ' 131' ' ' LEU . 1.7 tp -147.87 122.3 9.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.458 ' CE1' ' HB3' ' A' ' 134' ' ' HIS . 2.8 m-85 -121.89 126.37 48.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.58 ' CZ ' HG22 ' A' ' 39' ' ' THR . 8.4 m-85 -110.83 97.78 7.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -133.11 174.36 20.63 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.523 1.139 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.4 m -70.16 140.75 52.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 0.791 . . . . 0.0 110.003 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.9 mt -126.45 -67.6 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -168.02 -61.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 110.317 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.09 22.69 14.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.99 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -143.05 131.24 4.48 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -94.99 100.26 12.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 0.795 . . . . 0.0 110.281 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.0 mttm 49.95 83.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.445 ' CB ' ' HB2' ' A' ' 83' ' ' SER . 0.3 OUTLIER -149.14 162.68 39.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.58 HG22 ' CZ ' ' A' ' 29' ' ' PHE . 3.9 t -118.49 161.32 20.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.403 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.51 ' CD1' ' C ' ' A' ' 80' ' ' ILE . 0.7 OUTLIER -132.25 117.09 17.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.47 ' N ' HD11 ' A' ' 40' ' ' LEU . 28.9 mt -90.76 136.02 25.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.8 t -112.76 136.39 49.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.469 ' HB3' ' CD1' ' A' ' 19' ' ' LEU . 37.4 mt -119.99 106.91 12.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.42 ' C ' HD13 ' A' ' 19' ' ' LEU . 1.4 m -96.15 109.0 21.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.421 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 -76.46 113.07 13.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.563 HG12 ' CD2' ' A' ' 20' ' ' HIS . 7.5 m -91.76 -40.38 12.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.448 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 1.3 p -52.37 156.8 1.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.368 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.89 29.16 2.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.416 ' O ' ' C ' ' A' ' 50' ' ' ILE . 9.5 m-80 -151.11 137.47 18.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.416 ' C ' ' O ' ' A' ' 49' ' ' ASN . 43.4 mt -38.96 147.09 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.453 ' CG2' ' HA ' ' A' ' 102' ' ' GLU . 41.0 t -138.54 125.31 26.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.59 ' HB3' ' CE2' ' A' ' 117' ' ' PHE . . . -82.12 137.11 35.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.588 ' CE1' HD13 ' A' ' 80' ' ' ILE . 17.9 p90 -126.62 162.48 25.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.998 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.573 ' HD2' ' CD1' ' A' ' 118' ' ' TRP . 24.7 mttt -155.15 156.12 35.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.467 ' CG1' HG11 ' A' ' 65' ' ' VAL . 21.7 t -137.39 121.47 22.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.519 ' CD ' ' HB3' ' A' ' 97' ' ' LEU . 5.0 ppt_? -136.36 172.9 12.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.403 ' OG1' ' N ' ' A' ' 58' ' ' THR . 0.1 OUTLIER -158.66 169.76 23.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.391 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.403 ' N ' ' OG1' ' A' ' 57' ' ' THR . 77.7 p -72.89 -2.69 21.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 110.411 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.441 ' CB ' ' HD3' ' A' ' 62' ' ' LYS . . . -148.98 75.73 9.76 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -14.97 20.88 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.525 1.803 . . . . 0.0 111.009 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.513 ' O ' ' CD2' ' A' ' 85' ' ' HIS . 15.2 pt-20 -93.03 15.72 14.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.499 ' HA ' ' CD2' ' A' ' 85' ' ' HIS . 4.8 mttp -128.03 -46.04 1.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.451 ' OH ' ' CB ' ' A' ' 94' ' ' ASP . 55.3 m-85 -102.12 116.11 31.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 111.027 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 83' ' ' SER . 2.5 tpt180 -81.01 99.59 8.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.484 ' CG1' HG23 ' A' ' 82' ' ' VAL . 2.6 t -97.95 131.77 44.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.499 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.4 OUTLIER -163.71 134.26 3.37 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 66' ' ' LYS . 18.3 Cg_endo -75.02 140.63 68.37 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 121.027 -2.489 . . . . 0.0 110.956 0.024 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.419 ' HB3' ' O ' ' A' ' 65' ' ' VAL . 11.7 p -111.92 40.87 2.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 110.01 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.419 ' O ' ' HB2' ' A' ' 70' ' ' SER . 6.4 p-10 167.51 108.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.58 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 21.4 t 172.09 -169.47 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 0.0 110.017 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.518 ' N ' ' OG ' ' A' ' 70' ' ' SER . 0.7 OUTLIER -137.45 154.01 49.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.004 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 52.5 t -114.48 117.42 30.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.455 1.097 . . . . 0.0 108.336 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.04 165.2 0.62 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 134.62 18.1 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.534 1.807 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.87 30.73 61.07 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.448 1.092 . . . . 0.0 111.054 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -134.44 -179.84 5.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 0.775 . . . . 0.0 109.266 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.0 p -145.03 133.41 21.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.019 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.445 ' CG2' ' HB2' ' A' ' 43' ' ' LEU . 0.9 OUTLIER -105.4 169.42 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.406 ' O ' ' HD2' ' A' ' 67' ' ' PRO . 2.0 m-20 -130.4 123.19 29.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.588 HD13 ' CE1' ' A' ' 53' ' ' PHE . 2.2 mm -120.72 108.31 22.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.469 HD13 ' CD1' ' A' ' 40' ' ' LEU . 2.4 mp -78.49 146.74 7.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.632 ' CG1' ' CZ ' ' A' ' 96' ' ' PHE . 7.3 t -140.62 101.98 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.445 ' HB2' ' CB ' ' A' ' 38' ' ' LYS . 47.7 t -126.69 146.87 58.62 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.973 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 177.1 9.02 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.501 1.79 . . . . 0.0 111.03 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.513 ' CD2' ' O ' ' A' ' 61' ' ' GLU . 0.2 OUTLIER -59.55 -24.19 63.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.62 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 102.25 -35.61 4.84 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.547 1.155 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -94.18 33.39 5.29 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.3 pp -163.31 177.77 8.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.757 . . . . 0.0 109.314 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.7 165.37 11.22 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.132 . . . . 0.0 110.414 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.427 HG22 ' CG ' ' A' ' 29' ' ' PHE . 3.1 t -76.66 -12.94 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.3 m 52.1 177.01 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.43 1.081 . . . . 0.0 110.006 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -109.81 -5.15 15.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -91.77 -34.12 14.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 110.299 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.451 ' CB ' ' OH ' ' A' ' 63' ' ' TYR . 1.9 p-10 -46.7 145.11 2.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 109.253 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.8 mmm180 -146.75 134.54 21.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 110.295 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.632 ' CZ ' ' CG1' ' A' ' 82' ' ' VAL . 69.0 m-85 -105.07 155.22 19.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.519 ' HB3' ' CD ' ' A' ' 56' ' ' ARG . 3.2 tm? -136.07 138.66 42.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.534 ' CG2' ' CD1' ' A' ' 21' ' ' ILE . 5.1 mt -127.88 141.79 45.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.342 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 4.5 mtp -117.76 155.12 30.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.964 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -157.9 125.39 5.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.55 ' HB1' ' CE2' ' A' ' 117' ' ' PHE . . . -138.13 132.72 32.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.357 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.453 ' HA ' ' CG2' ' A' ' 51' ' ' VAL . 1.3 tt0 -68.72 116.54 9.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.297 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.571 ' HG2' ' CE1' ' A' ' 117' ' ' PHE . 21.8 mtp -88.67 172.56 9.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -91.01 -169.29 2.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.293 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -53.7 -81.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.286 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.66 128.14 35.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.009 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 10.7 m -167.26 109.28 0.65 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 110.011 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.407 ' O ' ' OG1' ' A' ' 109' ' ' THR . . . -81.01 -6.53 89.4 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.465 1.103 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.551 ' HA ' ' CD2' ' A' ' 114' ' ' LEU . 44.8 p 46.48 35.14 2.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 110.391 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.549 ' O ' HD23 ' A' ' 114' ' ' LEU . . . -86.12 -166.06 41.69 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -22.07 15.37 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.478 1.778 . . . . 0.0 111.04 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.484 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -93.11 -65.64 0.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.484 ' C ' ' O ' ' A' ' 112' ' ' ALA . 2.8 mm-40 -32.31 -40.41 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.304 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.551 ' CD2' ' HA ' ' A' ' 109' ' ' THR . 3.5 mm? -71.88 -69.03 0.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.6 -31.87 2.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.998 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.493 ' HA ' ' CG ' ' A' ' 119' ' ' LYS . 2.4 mt-30 -80.51 -31.56 37.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.59 ' CE2' ' HB3' ' A' ' 52' ' ' ALA . 82.9 t80 -83.84 -21.78 31.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . 0.573 ' CD1' ' HD2' ' A' ' 54' ' ' LYS . 63.4 m95 -87.21 -28.4 22.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 108.01 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.493 ' CG ' ' HA ' ' A' ' 116' ' ' GLN . 0.0 OUTLIER -81.3 -22.77 38.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.362 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.43 ' CG ' ' HD2' ' A' ' 119' ' ' LYS . 1.8 mt-10 -93.28 -44.99 8.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.538 ' CG1' ' O ' ' A' ' 117' ' ' PHE . 5.9 p -69.27 125.13 91.74 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.481 ' HG2' ' CG ' ' A' ' 125' ' ' LYS . 18.3 Cg_endo -74.95 154.47 42.75 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.502 1.791 . . . . 0.0 110.96 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.43 -32.69 62.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -63.02 -26.29 68.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.273 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.481 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 32.3 mmtt -101.16 7.47 43.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.477 ' CG2' HG12 ' A' ' 121' ' ' VAL . 75.1 t -112.48 123.83 68.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' MET . . . . . 0.447 ' SD ' ' HD2' ' A' ' 17' ' ' PRO . 16.6 ttp -90.52 101.69 14.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -86.11 124.58 32.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 110.353 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . 0.665 ' CD2' ' CG2' ' A' ' 21' ' ' ILE . 78.0 t60 -122.02 112.01 17.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.635 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.41 ' HA ' ' O ' ' A' ' 96' ' ' PHE . 0.1 OUTLIER -91.43 123.82 35.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.354 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.544 HD21 ' CD2' ' A' ' 129' ' ' HIS . 0.3 OUTLIER -92.52 144.06 25.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.337 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.441 ' CD ' ' HB2' ' A' ' 25' ' ' GLU . 4.8 ptp180 -123.19 142.07 51.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 9.7 t -78.54 149.7 33.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 108.297 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.458 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 6.8 t-80 -85.65 85.45 7.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.58 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 12.3 p -127.36 -178.88 4.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.398 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 6.5 p -155.97 163.66 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -46.47 120.25 2.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 46.7 t -171.77 135.01 0.83 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.021 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 7.4 t 67.07 166.79 0.23 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.965 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.0 115.98 2.39 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 170.3 20.72 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.482 1.78 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 70.16 149.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 28.5 m -109.18 97.89 7.42 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 110.046 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.4 165.55 11.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.3 ttt -57.04 109.66 0.69 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.968 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.04 166.16 17.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 15.7 t -45.55 -54.31 7.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.002 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 53.18 -152.02 8.83 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 174.01 13.5 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.453 1.765 . . . . 0.0 111.004 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 70.8 m -54.17 104.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.973 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 53.7 p -87.14 164.13 16.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.017 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.489 1.118 . . . . 0.0 111.037 -179.98 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 t -157.07 160.57 39.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 0.773 . . . . 0.0 109.984 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.52 170.36 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.43 105.78 0.27 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.4 m -161.7 158.58 26.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 0.738 . . . . 0.0 109.983 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.39 137.21 1.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.034 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.15 138.51 3.27 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.91 168.17 11.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 0.735 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.55 155.43 36.51 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 158.75 41.68 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.49 1.784 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -159.49 166.26 31.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.2 m -118.42 148.28 42.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.033 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.471 HG23 ' CE ' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -132.75 143.09 40.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.339 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.733 ' CG ' ' CE1' ' A' ' 129' ' ' HIS . 21.6 t80 -73.28 96.26 2.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 110.976 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.607 ' HG3' ' CE1' ' A' ' 20' ' ' HIS . 0.1 OUTLIER -58.42 99.84 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.457 ' H ' ' CD2' ' A' ' 20' ' ' HIS . . . -89.82 155.07 24.39 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.483 1.114 . . . . 0.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.425 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.3 Cg_endo -74.99 -19.66 17.65 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.455 1.766 . . . . 0.0 110.978 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.471 ' HA ' ' CG2' ' A' ' 47' ' ' THR . 3.1 mt -120.41 -75.61 0.59 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.462 ' CD1' ' HB3' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -109.64 134.46 51.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.303 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.607 ' CE1' ' HG3' ' A' ' 15' ' ' LYS . 10.5 m170 -80.75 156.06 26.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.656 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.476 HD11 ' CD2' ' A' ' 43' ' ' LEU . 2.7 mm -128.98 122.89 57.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.444 ' HA ' ' C ' ' A' ' 23' ' ' PRO . 4.5 t -131.66 128.93 21.92 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.978 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.498 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 18.3 Cg_endo -74.98 -162.56 2.82 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 121.001 -2.5 . . . . 0.0 111.009 -0.102 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.31 -98.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.276 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.507 ' O ' ' CG ' ' A' ' 132' ' ' ARG . 22.6 mt-10 -115.51 66.72 0.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.341 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.583 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 2.3 pt-20 -162.95 153.19 16.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.6 mt -149.76 127.3 11.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.662 ' CE2' ' CD2' ' A' ' 134' ' ' HIS . 3.7 m-85 -109.43 120.93 44.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.532 ' CE2' HG23 ' A' ' 90' ' ' VAL . 57.2 m-85 -111.99 50.87 0.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.955 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -168.97 98.82 0.14 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.47 160.19 15.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 0.789 . . . . 0.0 110.003 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.0 tt -55.07 -31.76 26.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -68.38 148.88 50.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.7 m -104.13 25.64 9.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.953 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -101.95 56.22 0.69 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.479 1.112 . . . . 0.0 111.047 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 71.42 123.38 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.557 0.798 . . . . 0.0 110.272 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -78.49 117.57 19.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.96 157.68 43.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.486 ' CG2' ' HB ' ' A' ' 82' ' ' VAL . 9.4 t -112.7 160.4 17.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.428 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.461 ' CD1' HD13 ' A' ' 81' ' ' ILE . 0.6 OUTLIER -131.74 117.9 19.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.451 ' N ' HD11 ' A' ' 40' ' ' LEU . 11.4 mt -90.96 146.4 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.6 t -119.39 135.6 59.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.476 ' CD2' HD11 ' A' ' 21' ' ' ILE . 19.1 mt -121.09 105.73 10.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.6 m -97.54 106.72 19.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.372 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 72' ' ' CYS . 9.6 t-20 -69.78 111.33 5.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.487 HG12 ' CE1' ' A' ' 20' ' ' HIS . 11.3 m -101.69 34.09 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.251 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.471 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 1.2 p -120.72 163.59 17.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.127 . . . . 0.0 110.389 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -97.06 23.06 7.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -154.06 143.2 21.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.41 HG23 ' N ' ' A' ' 51' ' ' VAL . 24.1 mt -43.73 148.66 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.348 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.41 ' N ' HG23 ' A' ' 50' ' ' ILE . 54.2 t -138.96 122.47 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.567 ' HB3' ' CE2' ' A' ' 117' ' ' PHE . . . -80.64 138.57 36.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.613 ' CZ ' ' HB3' ' A' ' 70' ' ' SER . 18.0 p90 -131.46 147.72 52.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.16 . . . . 0.0 111.006 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.499 ' HD2' ' CD1' ' A' ' 118' ' ' TRP . 29.7 mttt -139.3 155.68 47.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 49.8 t -125.34 116.9 48.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.273 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.463 ' CD ' ' SD ' ' A' ' 99' ' ' MET . 0.0 OUTLIER -126.05 172.48 9.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 110.3 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.435 ' HG1' ' N ' ' A' ' 58' ' ' THR . 4.5 t -164.36 167.9 19.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.418 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.435 ' N ' ' HG1' ' A' ' 57' ' ' THR . 9.2 p -87.83 24.21 1.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.383 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.488 ' HB3' ' CD ' ' A' ' 62' ' ' LYS . . . 179.84 71.95 0.16 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 0.54 8.73 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.445 1.76 . . . . 0.0 110.999 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -102.12 48.05 0.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.336 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.53 ' HD2' ' CE2' ' A' ' 63' ' ' TYR . 0.3 OUTLIER -168.57 -40.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.352 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.53 ' CE2' ' HD2' ' A' ' 62' ' ' LYS . 63.3 m-85 -101.75 134.54 44.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.993 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.21 92.62 6.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.462 ' O ' ' CG2' ' A' ' 65' ' ' VAL . 0.7 OUTLIER -97.9 118.4 44.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.369 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.509 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.6 OUTLIER -157.72 133.8 6.12 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.255 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 66' ' ' LYS . 18.3 Cg_endo -74.99 146.78 87.62 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 120.981 -2.508 . . . . 0.0 111.024 -0.044 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.461 ' HB3' ' O ' ' A' ' 65' ' ' VAL . 8.1 p -112.95 17.86 18.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.006 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.408 ' O ' ' HB2' ' A' ' 70' ' ' SER . 16.3 p-10 -171.18 107.64 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.613 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 46.4 t 177.82 -166.67 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.005 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.494 ' HB2' ' CG2' ' A' ' 109' ' ' THR . 0.8 OUTLIER -139.14 160.73 39.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.976 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.436 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 41.4 t -122.76 116.16 23.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 108.308 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -49.51 163.16 0.39 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 127.78 10.92 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.482 1.78 . . . . 0.0 110.941 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.48 35.28 33.37 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.126 . . . . 0.0 110.974 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -137.94 -178.89 5.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 0.768 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.0 p -142.85 134.06 25.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.004 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.436 ' CG2' ' HB2' ' A' ' 43' ' ' LEU . 1.0 OUTLIER -104.97 172.79 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -130.52 124.02 30.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.588 HD13 ' CE1' ' A' ' 53' ' ' PHE . 4.2 mm -120.19 103.45 14.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.461 HD13 ' CD1' ' A' ' 40' ' ' LEU . 2.4 mp -77.1 147.82 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.563 HG11 ' CZ ' ' A' ' 96' ' ' PHE . 96.9 t -140.68 97.48 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.09 124.51 34.49 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.026 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.509 ' HG3' ' CD1' ' A' ' 29' ' ' PHE . 18.4 Cg_endo -74.99 160.65 39.92 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.491 1.785 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.455 ' N ' ' O ' ' A' ' 62' ' ' LYS . 1.6 t-80 -51.8 -177.38 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.623 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.16 -59.78 0.93 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.507 1.129 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -55.65 -66.35 2.9 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.401 ' C ' ' CD1' ' A' ' 88' ' ' LEU . 1.2 pp -68.35 -178.33 1.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.578 0.81 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.439 ' OG1' ' N ' ' A' ' 90' ' ' VAL . 0.0 OUTLIER -140.09 171.01 14.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.428 1.08 . . . . 0.0 110.444 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.532 HG23 ' CE2' ' A' ' 29' ' ' PHE . 7.6 p -91.1 126.81 43.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.4 m -129.47 -173.78 3.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.993 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -93.01 40.38 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -115.97 -34.29 4.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.302 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -92.52 165.01 13.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -143.94 153.61 42.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.563 ' CZ ' HG11 ' A' ' 82' ' ' VAL . 27.4 m-85 -110.67 154.06 24.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.44 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 1.9 tm? -133.6 146.75 51.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.473 HG22 ' CD1' ' A' ' 21' ' ' ILE . 3.5 mt -137.36 137.54 45.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.549 ' CE ' ' CD2' ' A' ' 118' ' ' TRP . 18.7 mtp -110.39 153.2 25.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 110.975 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.406 ' CB ' ' HE3' ' A' ' 127' ' ' MET . . . -161.81 117.59 2.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.584 ' HB2' ' CZ3' ' A' ' 118' ' ' TRP . . . -136.33 135.28 38.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -69.96 119.99 15.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.582 ' HG3' ' CZ ' ' A' ' 117' ' ' PHE . 13.2 mtp -89.88 172.0 9.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -68.26 -141.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 110.247 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -97.52 -32.1 11.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.294 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.74 136.5 45.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.993 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -173.91 127.75 0.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.001 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -86.73 -4.63 82.45 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.523 1.139 . . . . 0.0 111.021 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.553 ' HA ' ' CD2' ' A' ' 114' ' ' LEU . 68.0 p 43.01 36.52 0.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 0.783 . . . . 0.0 110.402 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.597 ' O ' HD22 ' A' ' 114' ' ' LEU . . . -88.72 -163.09 39.04 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.474 1.109 . . . . 0.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -47.62 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.495 1.787 . . . . 0.0 111.054 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.49 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -73.01 -60.54 2.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.49 ' C ' ' O ' ' A' ' 112' ' ' ALA . 27.5 mp0 -31.78 -52.42 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.329 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.597 HD22 ' O ' ' A' ' 110' ' ' GLY . 3.7 mm? -62.41 -69.65 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 114' ' ' LEU . 0.1 OUTLIER -39.02 -30.23 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.012 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 114' ' ' LEU . 3.4 mm100 -80.84 -53.68 6.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.582 ' CZ ' ' HG3' ' A' ' 103' ' ' MET . 72.7 t80 -53.97 -42.07 68.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . 0.596 ' CZ3' HG12 ' A' ' 126' ' ' VAL . 24.5 m95 -67.16 -16.54 64.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 107.967 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.445 ' HG2' ' O ' ' A' ' 119' ' ' LYS . 0.0 OUTLIER -89.41 -15.73 32.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -97.82 -40.84 8.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.574 HG21 ' CZ ' ' A' ' 117' ' ' PHE . 2.3 t -71.09 129.26 89.56 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.529 ' O ' ' CG2' ' A' ' 126' ' ' VAL . 18.4 Cg_endo -74.97 170.33 20.66 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.471 1.774 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.19 2.51 15.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.243 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -101.01 -22.54 14.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.508 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 23.6 mmtt -102.25 -31.67 10.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.329 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.596 HG12 ' CZ3' ' A' ' 118' ' ' TRP . 47.1 t -70.44 109.67 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' MET . . . . . 0.425 ' SD ' ' HD2' ' A' ' 17' ' ' PRO . 36.4 ttp -79.88 117.37 20.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 110.986 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -106.04 124.28 49.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . 0.733 ' CE1' ' CG ' ' A' ' 14' ' ' PHE . 35.3 t60 -118.35 118.33 31.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.603 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -95.52 130.27 42.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.32 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 1.3 mt -101.74 166.6 10.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.507 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -131.81 158.13 42.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.31 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 63.5 m -84.39 145.1 28.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 108.257 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.662 ' CD2' ' CE2' ' A' ' 28' ' ' TYR . 27.1 t-80 -84.56 49.87 1.78 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.657 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 7.4 p -74.22 -176.15 2.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.388 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 7.6 p -174.29 59.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -147.02 74.12 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.32 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.23 156.77 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.107 . . . . 0.0 109.981 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 5.8 t -174.69 112.35 0.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.969 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.23 121.85 2.93 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.266 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -177.73 3.68 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.512 1.796 . . . . 0.0 110.991 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -150.35 151.89 33.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.16 137.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 0.0 109.999 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -178.63 111.84 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -178.57 85.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.997 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -174.94 175.57 2.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.77 -57.13 3.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.007 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 44.64 95.12 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.122 . . . . 0.0 111.003 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 60.34 5.39 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.503 1.791 . . . . 0.0 111.03 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 16.1 m -122.94 147.72 46.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.994 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -102.7 -77.65 0.56 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.039 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.538 1.149 . . . . 0.0 110.983 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.1 m -107.74 86.16 2.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 0.737 . . . . 0.0 109.977 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.3 t -103.09 123.99 47.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 110.025 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.1 -153.66 6.03 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.462 1.101 . . . . 0.0 111.054 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.5 t -177.25 -54.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 110.006 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.2 m 61.04 159.94 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.001 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.78 -166.07 12.99 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.57 119.82 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 0.782 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.95 154.05 47.4 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.352 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 109.39 2.92 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.464 1.771 . . . . 0.0 110.968 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.77 158.35 32.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.9 m -139.57 140.34 37.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.017 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.2 m -129.55 139.37 51.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.747 ' CG ' ' CE1' ' A' ' 129' ' ' HIS . 56.2 t80 -75.45 95.5 3.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.525 ' HD3' ' CE1' ' A' ' 20' ' ' HIS . 0.2 OUTLIER -65.11 115.36 5.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.247 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.466 ' H ' ' CD2' ' A' ' 20' ' ' HIS . . . -97.55 165.33 22.37 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.429 1.081 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.431 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.3 Cg_endo -75.0 -16.17 20.35 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.539 1.81 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.419 ' HA ' ' CG2' ' A' ' 47' ' ' THR . 3.4 mt -125.25 -73.07 0.64 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.42 HD11 ' N ' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -110.44 134.44 52.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.347 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.562 ' CE1' HG11 ' A' ' 46' ' ' VAL . 25.4 m170 -82.72 154.99 24.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 109.591 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.483 HD11 ' CG2' ' A' ' 98' ' ' ILE . 1.6 mm -124.4 140.1 48.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.469 ' HA ' ' C ' ' A' ' 23' ' ' PRO . 0.3 OUTLIER -150.99 130.27 6.49 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.048 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.469 ' C ' ' HA ' ' A' ' 22' ' ' SER . 18.5 Cg_endo -75.0 178.69 33.58 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 120.979 -2.509 . . . . 0.0 111.029 0.006 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.31 -99.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.432 ' O ' ' CZ ' ' A' ' 132' ' ' ARG . 3.9 pm0 -128.52 61.21 1.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.282 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.406 ' O ' ' HG2' ' A' ' 23' ' ' PRO . 0.0 OUTLIER -162.65 103.81 1.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 110.308 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.8 mt -101.01 141.07 34.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.551 ' CE1' ' HB3' ' A' ' 134' ' ' HIS . 1.4 m-85 -130.95 91.97 3.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -72.71 86.25 1.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 60.89 138.02 0.01 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.501 1.126 . . . . 0.0 111.026 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 33' ' ' GLU . 7.3 m -116.19 113.92 23.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 0.777 . . . . 0.0 110.002 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.1 mt 66.07 -74.02 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 31' ' ' SER . 1.8 mm-40 -165.01 93.57 0.62 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.45 22.32 7.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 110.029 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 61.37 137.27 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.53 1.144 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 43.66 90.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 0.772 . . . . 0.0 110.283 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.5 mttm -76.59 59.28 1.49 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.42 144.56 40.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.463 ' CG2' ' HB ' ' A' ' 82' ' ' VAL . 6.6 t -107.13 129.17 54.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.38 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.499 HD13 ' N ' ' A' ' 41' ' ' ILE . 2.6 tp -111.51 119.15 37.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.499 ' N ' HD13 ' A' ' 40' ' ' LEU . 36.7 mt -90.78 146.79 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.436 ' N ' HG22 ' A' ' 41' ' ' ILE . 2.4 t -116.93 127.64 74.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.482 ' CD2' HD12 ' A' ' 21' ' ' ILE . 11.6 mt -112.97 106.59 14.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.8 m -98.16 108.82 21.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 110.394 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -76.3 113.28 13.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.562 HG11 ' CE1' ' A' ' 20' ' ' HIS . 12.7 m -86.95 -39.38 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.419 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 1.6 p -52.33 160.25 0.84 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.384 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt -97.07 29.03 3.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.26 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 50' ' ' ILE . 7.1 m-80 -151.61 137.13 17.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 49' ' ' ASN . 17.4 mt -40.14 142.99 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.445 ' C ' ' OG ' ' A' ' 71' ' ' SER . 41.1 t -135.66 109.04 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.555 ' HB1' ' CE2' ' A' ' 117' ' ' PHE . . . -69.85 139.36 53.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.65 ' CE1' HD13 ' A' ' 80' ' ' ILE . 16.8 p90 -129.7 162.24 28.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.553 ' HE3' ' CD1' ' A' ' 118' ' ' TRP . 12.0 mttm -146.05 157.18 43.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 57.8 t -129.02 107.05 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 0.0 109.324 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.469 ' O ' ' N ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -118.65 142.06 48.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 110.321 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.44 168.93 18.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.413 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 31.8 p -78.67 2.62 18.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.401 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -154.29 75.2 5.95 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.426 1.079 . . . . 0.0 109.343 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -3.93 14.64 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.535 1.808 . . . . 0.0 110.99 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -108.3 26.72 10.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 110.277 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.6 mtpt -138.82 -46.69 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -101.51 134.48 44.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.07 102.59 14.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 110.355 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.475 ' CG2' ' HB3' ' A' ' 68' ' ' SER . 0.6 OUTLIER -104.32 119.21 52.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.468 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.0 OUTLIER -153.4 128.75 4.99 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.468 ' C ' ' HA ' ' A' ' 66' ' ' LYS . 18.3 Cg_endo -74.99 152.66 98.49 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 121.023 -2.49 . . . . 0.0 111.024 -0.035 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.475 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 42.9 p -112.36 -14.22 13.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.022 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -145.91 87.53 1.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.344 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.584 ' HB2' ' CZ ' ' A' ' 53' ' ' PHE . 2.3 m -155.86 -164.94 1.83 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 0.0 110.012 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.471 ' HB3' ' CG2' ' A' ' 109' ' ' THR . 2.8 t -140.26 171.69 13.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.958 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 39.1 t -134.84 115.99 14.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 108.31 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.87 162.66 0.36 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 133.45 16.65 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.518 1.799 . . . . 0.0 111.033 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.09 8.91 87.21 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -118.67 -178.74 3.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 0.748 . . . . 0.0 109.259 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.44 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 2.8 p -146.11 137.29 24.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.986 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.401 HG21 HD13 ' A' ' 80' ' ' ILE . 2.1 tt -105.19 166.41 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -121.18 117.18 26.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.65 HD13 ' CE1' ' A' ' 53' ' ' PHE . 6.2 mm -108.19 95.15 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.3 mp -71.62 144.87 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.554 HG11 ' CZ ' ' A' ' 96' ' ' PHE . 55.6 t -139.6 97.24 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.35 136.64 24.08 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.97 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 173.9 13.72 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.519 1.799 . . . . 0.0 110.948 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -64.67 -37.18 86.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.619 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 126.18 -75.4 0.41 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.123 . . . . 0.0 111.033 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -38.18 -66.3 0.62 Allowed Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.5 pp -52.41 -175.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 0.754 . . . . 0.0 109.334 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.3 t -136.16 168.41 19.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.376 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 75.0 t -92.4 129.08 43.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.7 t -134.23 174.66 10.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.024 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -92.51 37.3 1.0 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -112.22 -31.63 6.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -85.69 150.0 24.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 96' ' ' PHE . 0.0 OUTLIER -134.18 143.58 47.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.251 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.554 ' CZ ' HG11 ' A' ' 82' ' ' VAL . 10.7 m-85 -107.71 154.12 21.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 111.043 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 56' ' ' ARG . 3.2 tm? -139.65 126.03 20.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.483 ' CG2' HD11 ' A' ' 21' ' ' ILE . 3.0 mt -117.4 123.42 71.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.589 ' HE3' ' CH2' ' A' ' 118' ' ' TRP . 24.6 mtm -102.83 153.7 19.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 111.017 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -155.56 118.59 4.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.351 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.4 ' HB3' HG21 ' A' ' 126' ' ' VAL . . . -129.16 135.89 49.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -70.34 119.72 14.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 110.247 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.583 ' HG3' ' CZ ' ' A' ' 117' ' ' PHE . 4.3 mtp -86.71 171.11 11.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -79.79 -143.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.74 -166.94 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.2 m -53.48 113.6 1.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.987 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.1 m -134.33 142.26 47.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.039 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.43 ' N ' ' OE1' ' A' ' 113' ' ' GLU . . . -58.45 -171.61 0.31 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.501 1.125 . . . . 0.0 110.997 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.538 ' HA ' ' CD2' ' A' ' 114' ' ' LEU . 36.8 p -148.27 33.32 0.81 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.477 0.751 . . . . 0.0 110.381 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.562 ' O ' HD23 ' A' ' 114' ' ' LEU . . . -78.11 -169.93 35.26 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.533 1.146 . . . . 0.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -20.09 17.19 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.567 1.825 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.477 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -92.66 -65.15 1.02 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.477 ' C ' ' O ' ' A' ' 112' ' ' ALA . 2.1 mm-40 -33.09 -43.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.562 HD23 ' O ' ' A' ' 110' ' ' GLY . 3.8 mm? -70.58 -69.89 0.33 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 114' ' ' LEU . 1.8 t -34.75 -37.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 114' ' ' LEU . 1.0 OUTLIER -70.99 -56.98 5.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.243 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.583 ' CZ ' ' HG3' ' A' ' 103' ' ' MET . 70.6 t80 -57.89 -26.35 62.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . 0.589 ' CH2' ' HE3' ' A' ' 99' ' ' MET . 89.9 m95 -81.78 -16.07 52.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 107.991 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.443 ' HD3' ' CG ' ' A' ' 120' ' ' GLU . 0.0 OUTLIER -88.88 -20.67 24.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.443 ' CG ' ' HD3' ' A' ' 119' ' ' LYS . 4.8 mt-10 -99.88 -47.26 5.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.518 ' CG1' ' O ' ' A' ' 117' ' ' PHE . 7.3 p -69.64 125.38 91.94 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.547 ' HG2' ' CG ' ' A' ' 125' ' ' LYS . 18.3 Cg_endo -75.01 177.11 9.03 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.535 1.808 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.455 ' C ' ' CD ' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -88.49 0.26 56.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.342 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -103.45 -5.23 23.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.547 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 35.4 mmtt -107.46 -29.62 9.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.519 HG21 ' CH2' ' A' ' 118' ' ' TRP . 6.0 p -89.19 144.3 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' MET . . . . . 0.444 ' O ' ' HA ' ' A' ' 99' ' ' MET . 43.0 ttp -85.64 139.67 31.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -118.02 126.36 52.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.323 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . 0.747 ' CE1' ' CG ' ' A' ' 14' ' ' PHE . 62.7 t60 -135.26 118.43 16.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.595 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.58 131.87 38.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -108.81 144.05 37.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.26 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.432 ' CZ ' ' O ' ' A' ' 25' ' ' GLU . 8.0 ptt-85 -124.64 148.32 48.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.335 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 15.0 p -91.87 146.17 23.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 108.32 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.551 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -109.45 66.69 0.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.629 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 47.5 p -52.2 143.68 14.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.425 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 7.5 p -74.36 137.85 22.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 11.4 mp0 -101.29 168.74 9.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.269 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 77.15 -57.19 0.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.948 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 88.9 p 54.13 -173.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.974 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -104.77 107.93 59.64 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -178.12 3.95 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.495 1.787 . . . . 0.0 110.986 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -169.75 141.95 2.39 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 109.349 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 3.2 t -150.55 -59.79 0.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.02 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 2.0 tt 60.34 91.34 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -177.23 143.25 0.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 1.1 mp -130.41 139.73 50.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 97.6 p -163.08 104.57 1.0 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.963 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 56.96 -178.43 0.79 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.484 1.115 . . . . 0.0 111.041 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -41.58 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.505 1.792 . . . . 0.0 110.98 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.0 87.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.017 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.54 90.02 4.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.982 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 179.963 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -158.59 141.37 14.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 0.76 . . . . 0.0 110.002 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.13 168.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.039 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -78.63 167.33 52.89 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.542 1.151 . . . . 0.0 110.957 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 4' ' ' GLY . 33.2 m -39.62 109.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 109.988 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.94 -52.42 17.29 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 110.015 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.21 178.67 20.76 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.479 1.112 . . . . 0.0 110.957 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.02 178.0 6.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.19 156.56 10.47 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 143.72 29.56 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.555 1.819 . . . . 0.0 111.038 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -135.34 153.41 51.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.8 m -152.7 151.95 31.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.98 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.1 t -132.77 123.62 49.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.722 ' CD1' ' CE1' ' A' ' 129' ' ' HIS . 77.0 t80 -73.64 95.57 2.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.589 ' HD3' ' CE1' ' A' ' 20' ' ' HIS . 21.0 mmtp -63.34 110.97 2.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.492 ' H ' ' CD2' ' A' ' 20' ' ' HIS . . . -95.49 157.31 21.84 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.465 1.103 . . . . 0.0 110.955 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.404 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.3 Cg_endo -75.01 -15.28 20.8 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.784 . . . . 0.0 111.018 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.478 ' HA ' ' CG2' ' A' ' 47' ' ' THR . 6.7 mt -124.66 -72.28 0.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.456 ' CD1' ' HB3' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -113.21 134.04 54.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.326 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.589 ' CE1' ' HD3' ' A' ' 15' ' ' LYS . 14.5 m170 -81.23 157.35 25.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.604 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.479 HD12 ' CG2' ' A' ' 98' ' ' ILE . 1.7 mm -124.62 139.65 50.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.444 ' HA ' ' C ' ' A' ' 23' ' ' PRO . 5.3 t -152.25 126.66 4.54 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.006 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.444 ' C ' ' HA ' ' A' ' 22' ' ' SER . 18.4 Cg_endo -74.94 -177.32 20.13 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.02 -2.492 . . . . 0.0 111.025 -0.051 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.44 -98.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -126.69 58.1 1.42 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -163.16 103.69 0.98 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.484 ' CD1' ' OG1' ' A' ' 39' ' ' THR . 0.1 OUTLIER -86.11 144.43 27.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -132.09 92.17 3.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 111.042 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.419 ' CE2' HG22 ' A' ' 39' ' ' THR . 95.7 m-85 -82.96 98.22 9.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 111.026 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 60.39 125.71 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.5 1.125 . . . . 0.0 111.042 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 33' ' ' GLU . 9.6 t -118.75 132.81 56.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 0.77 . . . . 0.0 110.019 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 18.0 mm 66.38 -74.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -174.53 94.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 110.335 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.6 m -128.04 31.13 5.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.423 1.077 . . . . 0.0 110.056 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 60.16 -113.57 5.54 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.469 1.106 . . . . 0.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -46.18 115.64 1.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 0.751 . . . . 0.0 110.311 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.7 mtmm -91.6 53.43 2.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.29 142.85 44.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.484 ' OG1' ' CD1' ' A' ' 27' ' ' LEU . 9.4 t -105.4 144.01 32.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.392 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.474 HD11 ' N ' ' A' ' 41' ' ' ILE . 2.5 tp -121.4 120.61 35.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.474 ' N ' HD11 ' A' ' 40' ' ' LEU . 32.8 mt -89.25 153.44 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 t -124.56 129.52 73.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.485 ' HA ' ' O ' ' A' ' 20' ' ' HIS . 10.4 mt -116.32 103.89 10.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.403 ' C ' HD11 ' A' ' 19' ' ' LEU . 1.0 OUTLIER -91.67 110.14 21.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 0.0 110.373 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 72' ' ' CYS . 18.3 t-20 -72.77 119.41 16.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.7 m -114.51 39.43 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.478 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 1.8 p -127.61 158.73 36.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.178 . . . . 0.0 110.388 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.66 27.52 2.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.428 ' O ' ' C ' ' A' ' 50' ' ' ILE . 8.2 m-80 -159.35 135.48 8.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.428 ' C ' ' O ' ' A' ' 49' ' ' ASN . 13.0 mt -37.68 140.99 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.402 ' HB ' ' CD2' ' A' ' 19' ' ' LEU . 71.0 t -127.3 119.52 52.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.508 ' HB1' ' CE2' ' A' ' 117' ' ' PHE . . . -84.54 131.0 34.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.627 ' CE1' HD13 ' A' ' 80' ' ' ILE . 10.3 p90 -120.61 159.74 24.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.511 ' HD2' ' CE2' ' A' ' 118' ' ' TRP . 4.2 mttm -147.2 143.2 28.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 95.7 t -114.63 117.0 54.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -122.31 168.69 11.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.401 ' OG1' ' N ' ' A' ' 58' ' ' THR . 1.7 t -168.2 172.02 8.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.391 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.401 ' N ' ' OG1' ' A' ' 57' ' ' THR . 10.9 p -84.44 8.82 15.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.376 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -154.21 76.28 5.77 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.258 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -1.6 11.44 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.481 1.779 . . . . 0.0 111.041 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -119.61 30.16 7.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.34 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -137.28 -46.37 0.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -102.1 127.82 48.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 111.033 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.503 ' CB ' ' O ' ' A' ' 83' ' ' SER . 5.0 ttt180 -85.87 93.65 8.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 110.321 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 0.7 OUTLIER -99.05 116.09 41.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.461 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.2 OUTLIER -152.78 127.85 4.82 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 109.243 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.461 ' C ' ' HA ' ' A' ' 66' ' ' LYS . 18.2 Cg_endo -74.99 154.39 99.67 Favored 'Cis proline' 0 C--N 1.361 1.19 0 C-N-CA 121.023 -2.491 . . . . 0.0 110.976 -0.041 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.477 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 39.6 p -112.33 -18.69 12.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.002 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 39.4 p-10 -142.07 90.64 2.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.454 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -156.86 -167.85 2.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.005 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.419 ' HB2' ' CG2' ' A' ' 109' ' ' THR . 0.7 OUTLIER -138.84 172.62 12.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 110.02 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.457 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 44.3 t -134.87 120.6 19.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 108.313 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.6 160.17 0.62 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 119.29 5.59 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.534 1.808 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.92 22.31 23.52 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.448 1.092 . . . . 0.0 111.043 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -137.41 -178.38 5.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 0.785 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.448 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 3.2 p -142.6 141.15 31.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.019 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.467 ' CG2' HD11 ' A' ' 43' ' ' LEU . 1.3 tt -104.53 162.44 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.365 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -118.3 117.65 29.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.627 HD13 ' CE1' ' A' ' 53' ' ' PHE . 6.0 mm -110.09 97.17 5.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.2 mp -72.44 144.59 12.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.464 ' HB ' ' CG2' ' A' ' 39' ' ' THR . 97.0 t -135.73 97.92 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.503 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -126.06 119.94 23.86 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.032 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 173.82 13.83 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.492 1.785 . . . . 0.0 111.038 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.465 ' HB2' ' CD2' ' A' ' 88' ' ' LEU . 1.3 m-70 -49.61 133.99 20.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.595 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -65.11 87.49 0.08 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.451 1.094 . . . . 0.0 111.021 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 156.44 -72.29 0.25 Allowed Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.465 ' CD2' ' HB2' ' A' ' 85' ' ' HIS . 4.0 pp -51.9 -177.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 0.745 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 69.2 p -106.3 -166.77 1.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 110.357 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.403 ' O ' ' O ' ' A' ' 91' ' ' SER . 1.0 OUTLIER -112.76 -3.88 10.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 90' ' ' VAL . 3.7 m 41.32 -162.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.009 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -150.64 24.71 0.77 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -106.1 -33.69 7.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.327 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.17 171.47 10.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.137 . . . . 0.0 109.339 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -144.51 160.83 40.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.432 ' CZ ' HG12 ' A' ' 82' ' ' VAL . 14.5 m-85 -120.67 151.81 39.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.107 . . . . 0.0 111.024 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 25.2 tp -134.84 136.71 42.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.479 ' CG2' HD12 ' A' ' 21' ' ' ILE . 3.2 mt -127.88 121.86 57.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.583 ' HE1' ' CZ3' ' A' ' 118' ' ' TRP . 28.7 mtm -101.71 157.9 16.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -161.23 119.19 2.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.442 ' HB2' ' CE2' ' A' ' 117' ' ' PHE . . . -128.09 141.99 51.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -69.9 112.6 6.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.583 ' HG2' ' CZ ' ' A' ' 117' ' ' PHE . 0.0 OUTLIER -87.02 172.32 10.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.981 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' A' ' 103' ' ' MET . 2.0 mt-10 -60.59 -143.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 110.302 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -97.09 -78.92 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.72 107.88 20.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 109.981 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 27.0 m -154.64 130.33 9.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.968 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.44 152.75 44.28 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.537 1.148 . . . . 0.0 110.984 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.6 ' HA ' ' CD2' ' A' ' 114' ' ' LEU . 38.9 p -103.65 19.36 20.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 0.752 . . . . 0.0 110.386 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.623 ' O ' HD21 ' A' ' 114' ' ' LEU . . . -56.09 -179.77 0.42 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -16.11 20.35 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.473 1.775 . . . . 0.0 110.969 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.456 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -92.77 -64.8 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 112' ' ' ALA . 17.0 mp0 -34.09 -53.73 0.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.623 HD21 ' O ' ' A' ' 110' ' ' GLY . 4.6 mm? -55.17 -69.18 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.458 ' C ' ' O ' ' A' ' 114' ' ' LEU . 0.1 OUTLIER -34.06 -44.27 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 110.013 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.408 ' O ' ' HD2' ' A' ' 119' ' ' LYS . 8.2 mm-40 -61.74 -59.63 4.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.154 . . . . 0.0 110.254 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.583 ' CZ ' ' HG2' ' A' ' 103' ' ' MET . 51.3 t80 -56.05 -31.53 63.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . 0.583 ' CZ3' ' HE1' ' A' ' 99' ' ' MET . 90.6 m95 -76.39 -15.89 59.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 107.997 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.434 ' HD3' ' CG ' ' A' ' 120' ' ' GLU . 0.2 OUTLIER -90.77 -18.18 25.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.434 ' CG ' ' HD3' ' A' ' 119' ' ' LYS . 4.2 mt-10 -103.95 -46.32 4.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.517 ' CG1' ' O ' ' A' ' 117' ' ' PHE . 8.9 p -69.59 121.94 84.07 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.533 ' HG2' ' CG ' ' A' ' 125' ' ' LYS . 18.2 Cg_endo -75.08 165.9 30.24 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.464 1.77 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.48 ' HA ' ' CG1' ' A' ' 126' ' ' VAL . 0.0 OUTLIER -76.99 0.92 19.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -102.44 -7.73 21.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.533 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 31.1 mmtt -107.73 -25.68 11.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.578 HG23 ' CH2' ' A' ' 118' ' ' TRP . 4.8 p -92.87 143.44 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' MET . . . . . 0.433 ' HG2' ' N ' ' A' ' 128' ' ' GLU . 50.7 ttp -82.26 149.1 28.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.991 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.433 ' N ' ' HG2' ' A' ' 127' ' ' MET . 63.0 mt-10 -128.84 126.13 39.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 110.315 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . 0.722 ' CE1' ' CD1' ' A' ' 14' ' ' PHE . 65.8 t60 -135.99 122.3 20.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.587 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.94 139.62 30.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.325 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.467 ' CD2' HD21 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -117.09 150.64 38.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.263 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.5 159.96 38.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.309 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 9.2 t -87.25 158.29 19.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 108.304 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -120.62 71.14 0.91 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.596 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 8.5 t -131.65 -167.24 1.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.408 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 7.6 p -109.35 131.53 59.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.335 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.67 146.18 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 110.289 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 2.9 t -39.71 148.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.966 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 13.8 t -71.16 137.52 48.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.97 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 70.26 120.57 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -36.45 2.54 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.531 1.806 . . . . 0.0 110.963 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 6.2 t30 58.93 111.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 37.2 m -54.82 132.73 46.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.021 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.24 146.12 52.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -41.66 108.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 7.5 tp -161.32 -55.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.414 1.071 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.2 m 56.87 81.4 0.13 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.109 . . . . 0.0 109.98 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 173.81 -175.47 46.4 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.496 1.123 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 128.28 11.41 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.52 1.8 . . . . 0.0 111.008 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 1.8 t -166.46 -58.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 110.008 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 1.6 t -51.53 138.5 22.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.989 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 179.98 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m 62.08 164.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 0.755 . . . . 0.0 110.005 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.6 t -171.86 154.82 3.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 110.002 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.04 131.5 1.32 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 t 66.61 164.34 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 0.78 . . . . 0.0 110.017 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 t -174.19 167.72 4.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.972 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.66 -170.2 13.33 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.459 1.099 . . . . 0.0 110.983 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -149.32 157.57 43.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 0.753 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.418 ' HE3' ' NE2' ' A' ' 134' ' ' HIS . 0.0 OUTLIER -143.84 151.78 53.9 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 175.74 10.83 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.465 1.771 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.69 142.04 30.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.5 m -146.3 155.25 42.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.002 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.432 ' CG2' ' HE2' ' A' ' 15' ' ' LYS . 0.9 OUTLIER -129.16 147.39 33.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.74 ' CG ' ' CE1' ' A' ' 129' ' ' HIS . 19.3 t80 -76.33 96.07 3.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.597 ' HG3' ' CE1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -51.39 94.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.449 ' H ' ' CD2' ' A' ' 20' ' ' HIS . . . -76.91 152.47 40.58 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.468 1.105 . . . . 0.0 110.961 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -18.23 18.93 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.479 1.779 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -131.91 -57.77 0.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.466 ' CB ' ' HB1' ' A' ' 100' ' ' ALA . 0.0 OUTLIER -120.03 131.7 55.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.597 ' CE1' ' HG3' ' A' ' 15' ' ' LYS . 6.6 m170 -78.49 156.5 29.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.621 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.5 HD12 ' CG2' ' A' ' 98' ' ' ILE . 2.4 mm -126.84 121.9 59.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.416 ' O ' ' HA ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -131.05 125.76 21.29 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.994 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.419 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 18.2 Cg_endo -75.06 -172.77 11.25 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.979 -2.509 . . . . 0.0 110.958 0.031 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.402 ' O ' ' NE2' ' A' ' 129' ' ' HIS . . . -64.79 -68.35 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.507 ' HA ' ' CD2' ' A' ' 131' ' ' LEU . 2.6 pm0 -156.58 58.6 0.55 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.268 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.456 ' CG ' ' C ' ' A' ' 25' ' ' GLU . 2.1 mt-10 -155.03 103.35 2.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.516 ' HB3' ' CE2' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -100.64 109.04 21.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -88.88 91.8 8.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.581 ' CE1' HG21 ' A' ' 39' ' ' THR . 70.0 m-85 -85.75 98.75 10.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 111.052 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.01 83.39 1.36 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.496 1.122 . . . . 0.0 111.036 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 33' ' ' GLU . 13.8 m -104.68 128.63 52.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 0.782 . . . . 0.0 110.008 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.9 mp 65.62 -75.89 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 31' ' ' SER . 0.3 OUTLIER -61.57 158.39 15.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.313 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.1 m -100.54 -23.24 14.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.02 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -98.65 163.12 20.57 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.464 1.102 . . . . 0.0 111.047 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 49.42 81.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 0.762 . . . . 0.0 110.243 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -105.2 73.03 1.02 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.261 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.499 ' HG2' ' N ' ' A' ' 39' ' ' THR . 0.3 OUTLIER -124.34 141.88 51.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.317 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.581 HG21 ' CE1' ' A' ' 29' ' ' PHE . 1.3 t -110.65 160.96 16.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 110.379 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.509 HD11 ' N ' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -131.49 123.11 27.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.549 1.156 . . . . 0.0 109.285 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.509 ' N ' HD11 ' A' ' 40' ' ' LEU . 10.2 mt -91.16 156.8 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.7 t -129.24 126.18 63.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.467 ' CD2' HD13 ' A' ' 21' ' ' ILE . 23.5 mt -112.5 102.19 10.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.424 ' C ' HD11 ' A' ' 19' ' ' LEU . 0.9 OUTLIER -92.4 108.11 19.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 110.447 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.421 ' OD1' ' OG1' ' A' ' 47' ' ' THR . 34.8 t30 -74.14 106.13 5.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.8 m -97.92 37.83 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.421 ' OG1' ' OD1' ' A' ' 45' ' ' ASN . 1.1 p -124.12 163.82 20.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.425 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -97.81 24.92 6.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 109.269 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -157.02 137.06 12.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.425 HG23 ' N ' ' A' ' 51' ' ' VAL . 56.1 mt -40.09 148.28 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.425 ' N ' HG23 ' A' ' 50' ' ' ILE . 53.7 t -138.4 118.23 14.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.88 132.73 35.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.609 ' CE1' HD13 ' A' ' 80' ' ' ILE . 6.9 p90 -122.64 154.92 37.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.424 ' HD2' ' CD2' ' A' ' 118' ' ' TRP . 6.7 mttm -139.23 147.21 41.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.087 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 96.3 t -113.82 107.08 22.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 97' ' ' LEU . 1.1 tmt_? -110.17 155.85 21.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.292 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.0 t -158.58 169.74 23.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.385 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.4 p -87.73 21.58 2.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.413 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -168.23 75.23 0.87 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -5.27 16.59 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.521 1.8 . . . . 0.0 111.003 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -118.28 35.88 4.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.287 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.409 ' HE3' ' CD1' ' A' ' 88' ' ' LEU . 15.9 mtpt -145.69 -44.82 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.46 ' OH ' ' CB ' ' A' ' 94' ' ' ASP . 90.3 m-85 -101.21 134.02 44.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.81 101.7 14.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.256 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 0.7 OUTLIER -112.09 115.27 49.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.41 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.0 OUTLIER -149.87 125.62 5.01 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.473 ' HD2' ' CD1' ' A' ' 80' ' ' ILE . 18.4 Cg_endo -75.04 157.85 99.32 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 120.999 -2.501 . . . . 0.0 111.04 0.051 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.474 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 54.6 p -112.84 -10.85 13.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.988 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -157.4 85.24 0.92 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -141.56 -163.6 1.6 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 110.022 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.415 ' OG ' ' CG2' ' A' ' 50' ' ' ILE . 11.8 t -138.09 170.54 15.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.007 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 43.7 t -140.41 118.58 11.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 108.331 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.59 164.52 1.1 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 136.8 20.86 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.483 1.781 . . . . 0.0 111.005 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.01 23.52 71.59 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.48 1.113 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -138.64 -179.07 5.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.765 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.45 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 3.9 p -145.21 143.88 30.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.963 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.406 ' CG2' ' CE2' ' A' ' 53' ' ' PHE . 1.3 tt -105.15 165.6 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -116.84 123.45 47.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.609 HD13 ' CE1' ' A' ' 53' ' ' PHE . 2.8 mm -120.52 106.26 18.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.162 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.477 HD13 ' CD2' ' A' ' 40' ' ' LEU . 2.6 mp -81.52 148.56 5.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.511 ' CG1' ' CZ ' ' A' ' 96' ' ' PHE . 80.1 t -140.12 96.95 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -114.9 118.72 40.32 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.025 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.47 ' HG3' ' CG1' ' A' ' 90' ' ' VAL . 18.3 Cg_endo -75.02 153.97 42.06 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.478 1.778 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.45 ' O ' ' N ' ' A' ' 88' ' ' LEU . 0.2 OUTLIER -54.17 108.36 0.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 109.622 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -39.34 -36.71 0.65 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -59.62 -45.75 95.13 Favored Glycine 0 CA--C 1.531 1.077 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 85' ' ' HIS . 2.9 pp -107.17 -170.72 1.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 0.797 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.453 ' OG1' ' N ' ' A' ' 90' ' ' VAL . 0.0 OUTLIER -137.37 171.65 14.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.385 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.471 ' O ' ' N ' ' A' ' 92' ' ' ALA . 5.9 m -76.15 -2.18 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 52.69 -89.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 109.979 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 90' ' ' VAL . . . 177.58 -40.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -68.07 -28.23 67.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.319 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.46 ' CB ' ' OH ' ' A' ' 63' ' ' TYR . 7.0 p-10 -41.35 144.86 0.29 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.105 . . . . 0.0 109.338 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 19.4 mmm-85 -140.42 144.99 36.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.511 ' CZ ' ' CG1' ' A' ' 82' ' ' VAL . 22.1 m-85 -119.65 154.19 34.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 56' ' ' ARG . 42.9 tp -133.57 148.06 51.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.344 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.5 ' CG2' HD12 ' A' ' 21' ' ' ILE . 3.1 mt -138.25 123.05 22.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.601 ' CE ' ' CZ3' ' A' ' 118' ' ' TRP . 7.6 mtp -99.1 154.98 17.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 111.05 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.466 ' HB1' ' CB ' ' A' ' 19' ' ' LEU . . . -159.48 116.62 2.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.261 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.455 ' HB2' ' CB ' ' A' ' 126' ' ' VAL . . . -130.68 133.17 45.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -69.83 120.38 15.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 110.321 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.587 ' HG2' ' CE1' ' A' ' 117' ' ' PHE . 0.0 OUTLIER -89.17 172.65 8.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 111.041 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -72.71 -169.88 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 110.317 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -67.92 -42.08 81.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.32 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.47 115.66 27.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.975 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.471 ' HB3' ' CE ' ' A' ' 103' ' ' MET . 22.2 m -136.48 106.94 6.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.039 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -72.07 -9.04 70.9 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 66.6 p 39.9 51.25 2.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 0.752 . . . . 0.0 110.419 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -117.35 -170.77 15.36 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.495 1.122 . . . . 0.0 111.029 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -21.13 16.27 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.481 1.779 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -91.78 -69.31 0.75 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 109.263 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 112' ' ' ALA . 2.1 mm-40 -38.44 -46.24 1.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 118' ' ' TRP . 87.1 mt -62.8 -60.61 3.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.536 ' O ' ' CG ' ' A' ' 119' ' ' LYS . 0.4 OUTLIER -53.14 -26.95 18.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.041 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.524 ' HA ' ' CG ' ' A' ' 119' ' ' LYS . 1.1 tt0 -82.98 -35.19 26.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.587 ' CE1' ' HG2' ' A' ' 103' ' ' MET . 12.1 t80 -83.24 -22.9 32.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 111.006 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . 0.601 ' CZ3' ' CE ' ' A' ' 99' ' ' MET . 62.4 m95 -87.6 -27.07 22.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 108.034 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.536 ' CG ' ' O ' ' A' ' 115' ' ' SER . 0.0 OUTLIER -82.99 -22.43 33.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -94.27 -42.91 8.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.318 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.556 ' CG1' ' O ' ' A' ' 117' ' ' PHE . 7.9 p -69.59 122.62 86.34 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.523 ' HG2' ' CG ' ' A' ' 125' ' ' LYS . 18.3 Cg_endo -74.96 -173.08 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.518 1.799 . . . . 0.0 111.016 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.503 ' C ' ' CD ' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -93.22 0.83 57.21 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . 0.442 ' N ' ' HD2' ' A' ' 123' ' ' ARG . 2.4 t-20 -102.32 -13.57 17.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.523 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 27.5 mmtt -102.7 -28.98 11.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.573 HG22 ' CZ3' ' A' ' 118' ' ' TRP . 14.8 p -92.19 137.96 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' MET . . . . . 0.411 ' C ' ' SD ' ' A' ' 127' ' ' MET . 19.1 tmm? -85.43 137.13 33.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 111.058 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -119.26 128.66 54.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . 0.74 ' CE1' ' CG ' ' A' ' 14' ' ' PHE . 63.0 t60 -131.89 123.03 26.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.59 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -93.83 136.28 34.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.278 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.507 ' CD2' ' HA ' ' A' ' 25' ' ' GLU . 0.6 OUTLIER -111.61 158.69 18.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.258 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -140.81 156.1 46.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 26.5 p -81.49 157.72 24.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 108.278 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.418 ' NE2' ' HE3' ' A' ' 9' ' ' LYS . 51.0 t60 -113.3 61.82 0.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.606 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 69.9 p -57.42 171.75 0.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.436 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 14.8 p -157.58 50.63 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.5 81.76 0.6 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.39 -61.05 0.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.003 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.16 -54.94 1.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.173 . . . . 0.0 109.961 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.39 147.87 0.69 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -58.0 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.475 1.776 . . . . 0.0 111.048 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -143.65 168.9 18.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.33 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.0 138.04 10.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.972 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -72.7 71.44 1.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 20.7 ptt? -137.75 171.36 14.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 111.014 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -48.35 136.97 11.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 5.1 t -179.03 161.52 1.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.968 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -172.42 151.16 13.83 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.491 1.119 . . . . 0.0 110.999 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -177.8 3.73 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.494 1.786 . . . . 0.0 111.051 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 50.8 p -135.9 156.33 48.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.982 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 65.6 p -177.63 161.94 1.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.008 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.482 1.114 . . . . 0.0 110.984 179.979 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.9 m . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.565 HG22 ' HE3' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -130.48 147.82 33.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.578 ' CB ' ' CE1' ' A' ' 129' ' ' HIS . 26.5 t80 -74.65 95.62 2.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.983 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.565 ' HE3' HG22 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -58.28 92.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.5 153.26 30.02 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.423 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.3 Cg_endo -75.03 -17.79 19.18 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.516 1.798 . . . . 0.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.535 ' HA ' HG23 ' A' ' 47' ' ' THR . 7.1 mt -120.18 -75.82 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.643 ' HB2' HG11 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -111.54 132.87 54.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.319 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.768 ' CE1' HG11 ' A' ' 46' ' ' VAL . 0.3 OUTLIER -80.25 155.87 27.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.616 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.614 HD13 HD22 ' A' ' 43' ' ' LEU . 1.4 mm -125.91 126.7 70.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.579 ' O ' HG23 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -134.11 126.05 18.36 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.989 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.463 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 18.3 Cg_endo -75.04 -173.42 12.32 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 121.005 -2.498 . . . . 0.0 111.005 0.015 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.75 -81.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.731 ' HA ' HD23 ' A' ' 131' ' ' LEU . 22.0 mt-10 -143.33 64.23 1.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -162.68 104.6 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.326 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.531 ' HG ' HD22 ' A' ' 131' ' ' LEU . 32.1 mt -102.99 135.5 44.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.319 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.497 ' CE1' ' HB3' ' A' ' 134' ' ' HIS . 1.6 m-85 -130.26 93.19 3.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.584 ' CB ' HG21 ' A' ' 90' ' ' VAL . 56.6 m-85 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.42 ' HE2' ' CG1' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -115.09 143.15 45.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.502 HG21 HD22 ' A' ' 27' ' ' LEU . 14.0 t -100.67 143.88 30.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.398 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.57 HD12 ' N ' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -117.24 120.32 37.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.579 HG23 ' O ' ' A' ' 22' ' ' SER . 12.0 mt -90.68 147.63 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.9 t -120.52 131.97 71.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.848 ' HB2' HG22 ' A' ' 78' ' ' ILE . 18.6 mt -121.35 110.6 16.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.402 ' HB ' ' HB2' ' A' ' 20' ' ' HIS . 2.7 m -101.17 108.49 20.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.399 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.415 ' OD1' HG21 ' A' ' 51' ' ' VAL . 48.8 t30 -75.89 97.73 4.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.768 HG11 ' CE1' ' A' ' 20' ' ' HIS . 27.1 m -69.11 -43.67 81.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.535 HG23 ' HA ' ' A' ' 18' ' ' LEU . 7.5 p -49.02 163.11 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.405 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.25 14.95 29.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.416 ' HB2' ' CD ' ' A' ' 102' ' ' GLU . 77.6 m-20 -130.3 161.29 31.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.7 mt -61.52 145.62 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.643 HG11 ' HB2' ' A' ' 19' ' ' LEU . 80.2 t -135.16 118.12 23.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.785 ' HB3' ' CE2' ' A' ' 117' ' ' PHE . . . -83.65 115.91 22.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.667 ' CE1' HD13 ' A' ' 78' ' ' ILE . 33.4 p90 -111.11 153.52 25.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.507 ' HD2' ' CE2' ' A' ' 118' ' ' TRP . 9.8 mttt -144.3 138.27 27.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 1.014 HG21 HG21 ' A' ' 80' ' ' ILE . 98.7 t -105.56 130.56 56.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.443 ' NH1' ' SD ' ' A' ' 99' ' ' MET . 4.4 mtt180 -132.43 172.5 12.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.4 t -168.85 161.4 10.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.401 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.4 p -72.53 -9.23 58.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.39 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.652 ' HB1' ' HD3' ' A' ' 62' ' ' LYS . . . -149.48 74.42 9.67 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -18.56 18.75 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -88.25 11.79 15.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.312 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.652 ' HD3' ' HB1' ' A' ' 59' ' ' ALA . 4.7 mtpp -123.49 -43.1 2.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -102.74 130.61 49.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -84.87 102.08 12.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.282 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.457 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 0.7 OUTLIER -108.07 118.93 56.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.519 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.4 OUTLIER -158.71 133.37 5.43 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.659 ' HD2' HD13 ' A' ' 80' ' ' ILE . 18.6 Cg_endo -74.93 146.11 85.77 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 120.995 -2.502 . . . . 0.0 111.056 -0.097 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.452 ' CB ' HG23 ' A' ' 65' ' ' VAL . 6.2 p -111.83 -7.8 14.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.993 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -147.16 98.53 3.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.107 . . . . 0.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.55 -171.02 0.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.005 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.0 t -130.43 170.83 13.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.41 1.069 . . . . 0.0 110.003 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.608 ' HB3' HD21 ' A' ' 19' ' ' LEU . 53.5 t -134.67 115.15 13.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 108.279 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -53.8 160.38 2.15 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.406 ' HB3' ' N ' ' A' ' 49' ' ' ASN . 18.5 Cg_endo -74.94 124.94 9.02 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.512 1.796 . . . . 0.0 111.052 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.01 29.21 26.37 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.477 1.111 . . . . 0.0 110.981 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -142.1 153.89 44.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 109.276 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.419 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 2.7 p -114.48 138.87 50.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.001 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.848 HG22 ' HB2' ' A' ' 43' ' ' LEU . 1.0 OUTLIER -104.86 171.11 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.448 ' O ' HD13 ' A' ' 80' ' ' ILE . 7.0 m-20 -131.18 124.08 29.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 1.014 HG21 HG21 ' A' ' 55' ' ' VAL . 5.0 mm -118.67 111.43 33.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.468 HD12 HD13 ' A' ' 40' ' ' LEU . 2.0 mp -82.4 145.53 8.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.534 HG11 ' CZ ' ' A' ' 96' ' ' PHE . 80.3 t -139.45 97.9 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.3 t -118.33 130.6 24.66 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.024 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 170.01 21.35 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.495 1.787 . . . . 0.0 111.02 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.592 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.419 ' OG1' ' N ' ' A' ' 90' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.584 HG21 ' CB ' ' A' ' 29' ' ' PHE . 36.0 t -67.18 122.01 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.15 -162.82 0.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.035 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -119.68 -41.8 2.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.352 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -69.11 -14.79 63.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 18.9 p-10 -63.85 131.5 47.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 96' ' ' PHE . 4.7 tpp180 -135.32 143.11 45.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 110.298 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.534 ' CZ ' HG11 ' A' ' 82' ' ' VAL . 43.9 m-85 -110.99 151.69 27.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 0.0 111.047 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.759 HD11 ' HB3' ' A' ' 128' ' ' GLU . 33.1 tp -131.41 145.1 51.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.729 ' CD1' HD12 ' A' ' 131' ' ' LEU . 3.1 mt -134.71 123.59 42.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.34 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.443 ' SD ' ' NH1' ' A' ' 56' ' ' ARG . 15.2 mtm -98.47 156.01 16.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 110.965 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -162.42 117.82 1.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.81 ' HB1' HG21 ' A' ' 121' ' ' VAL . . . -135.94 133.44 37.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.468 ' OE2' ' CG2' ' A' ' 51' ' ' VAL . 0.8 OUTLIER -71.6 127.1 31.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.318 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.56 ' HA ' ' CE1' ' A' ' 117' ' ' PHE . 24.8 mtp -87.91 171.88 10.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 111.048 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 103' ' ' MET . 2.8 mt-10 -60.99 -140.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -80.36 -88.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 23.4 m -99.21 105.17 17.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 109.968 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.63 128.51 33.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.989 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -59.86 -171.86 0.57 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.577 1.173 . . . . 0.0 110.999 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 75.3 p -142.1 53.31 1.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 0.741 . . . . 0.0 110.41 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.456 ' O ' HD12 ' A' ' 114' ' ' LEU . . . -111.46 -172.4 19.37 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.458 1.099 . . . . 0.0 110.956 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -14.45 21.24 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -92.52 -72.72 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 112' ' ' ALA . 3.8 mm-40 -38.11 -45.86 0.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.327 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.456 HD12 ' O ' ' A' ' 110' ' ' GLY . 95.7 mt -59.83 -65.69 0.64 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.15 -29.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.002 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.423 ' N ' ' C ' ' A' ' 114' ' ' LEU . 3.0 mm100 -80.14 -53.15 6.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.785 ' CE2' ' HB3' ' A' ' 52' ' ' ALA . 19.7 t80 -57.45 -36.73 71.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 0.0 111.001 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' TRP . . . . . 0.6 ' HZ3' HG22 ' A' ' 126' ' ' VAL . 52.0 m95 -74.3 -9.35 58.51 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.76 -27.29 14.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.403 ' CG ' ' N ' ' A' ' 121' ' ' VAL . 0.4 OUTLIER -91.16 -42.07 10.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.81 HG21 ' HB1' ' A' ' 101' ' ' ALA . 8.3 p -69.21 122.28 84.85 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.477 ' HG2' ' CG ' ' A' ' 125' ' ' LYS . 18.2 Cg_endo -74.98 145.48 31.57 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.489 1.784 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.74 -25.62 4.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -68.13 -28.13 67.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.477 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 34.4 mmtt -92.65 -19.75 21.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.6 HG22 ' HZ3' ' A' ' 118' ' ' TRP . 50.5 t -75.11 111.33 11.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.349 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' MET . . . . . 0.423 ' SD ' ' HD2' ' A' ' 17' ' ' PRO . 33.6 ttp -87.37 113.84 23.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.968 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.759 ' HB3' HD11 ' A' ' 97' ' ' LEU . 19.0 mt-10 -102.16 133.71 46.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.324 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' HIS . . . . . 0.578 ' CE1' ' CB ' ' A' ' 14' ' ' PHE . 6.4 t-80 -129.39 112.03 13.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.647 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.48 ' HG3' HD13 ' A' ' 97' ' ' LEU . 2.6 mtm180 -88.75 131.71 34.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.303 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.731 HD23 ' HA ' ' A' ' 25' ' ' GLU . 0.3 OUTLIER -103.59 163.11 12.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.5 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -123.4 157.26 33.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.328 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 34.2 m -108.91 125.05 51.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 108.319 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' HIS . . . . . 0.497 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.597 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.7 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.629 HG22 ' HE3' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -130.75 145.4 35.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.444 1.09 . . . . 0.0 109.317 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.485 ' CG ' ' NE2' ' A' ' 129' ' ' HIS . 24.1 t80 -74.12 96.17 2.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.629 ' HE3' HG22 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -58.84 96.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.88 154.69 25.9 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.507 1.129 . . . . 0.0 111.027 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.451 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.3 Cg_endo -74.98 -20.14 17.21 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.492 1.785 . . . . 0.0 111.02 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.597 ' HA ' HG23 ' A' ' 47' ' ' THR . 5.4 mt -116.84 -76.06 0.57 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.718 HD21 ' HB3' ' A' ' 72' ' ' CYS . 0.0 OUTLIER -113.11 134.59 54.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.635 ' CE1' HG11 ' A' ' 46' ' ' VAL . 0.3 OUTLIER -80.08 155.98 27.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.617 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.68 HD13 ' CD2' ' A' ' 43' ' ' LEU . 1.6 mm -127.44 129.66 70.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.63 ' O ' HG23 ' A' ' 41' ' ' ILE . 2.4 t -140.03 129.18 13.49 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.01 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.447 ' C ' ' HA ' ' A' ' 22' ' ' SER . 18.3 Cg_endo -74.99 -178.24 22.89 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.022 0.046 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.65 -88.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.643 ' HA ' HD23 ' A' ' 131' ' ' LEU . 16.2 mt-10 -135.5 63.36 1.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 23' ' ' PRO . 1.9 pt-20 -163.08 103.17 0.99 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.324 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.55 HD22 ' OG1' ' A' ' 39' ' ' THR . 10.1 mt -101.17 125.33 47.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' A' ' 28' ' ' TYR . 20.5 m-85 -104.33 91.32 3.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.582 ' CD2' HG21 ' A' ' 90' ' ' VAL . 38.8 m-85 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.2 mttt . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.41 ' HE2' ' CG1' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -111.72 145.89 38.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.55 ' OG1' HD22 ' A' ' 27' ' ' LEU . 13.2 t -109.98 138.73 45.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.406 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.563 HD12 ' N ' ' A' ' 41' ' ' ILE . 0.7 OUTLIER -114.62 118.37 33.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.297 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.63 HG23 ' O ' ' A' ' 22' ' ' SER . 48.8 mt -91.84 147.07 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.2 t -121.13 133.69 66.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.808 ' HB2' HG22 ' A' ' 78' ' ' ILE . 17.6 mt -120.03 110.57 16.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.41 ' HB ' ' HB2' ' A' ' 20' ' ' HIS . 1.0 OUTLIER -100.75 106.5 17.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.402 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -75.38 111.7 10.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.635 HG11 ' CE1' ' A' ' 20' ' ' HIS . 9.3 m -85.22 -38.9 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.597 HG23 ' HA ' ' A' ' 18' ' ' LEU . 1.4 p -51.56 155.81 1.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.385 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.03 28.28 3.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.619 ' O ' HG23 ' A' ' 51' ' ' VAL . 14.5 m-80 -148.64 136.55 20.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 49' ' ' ASN . 22.2 mt -39.39 145.86 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.946 HG22 ' HA ' ' A' ' 102' ' ' GLU . 63.5 t -137.87 130.92 41.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.831 ' HB2' ' SD ' ' A' ' 103' ' ' MET . . . -87.78 124.85 34.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.866 ' CE2' HD13 ' A' ' 78' ' ' ILE . 26.7 p90 -116.26 160.61 20.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.539 ' HD2' ' CD1' ' A' ' 118' ' ' TRP . 4.4 mttm -151.87 158.66 43.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.09 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.913 HG21 HG21 ' A' ' 80' ' ' ILE . 36.7 t -135.0 123.42 40.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.485 ' CD ' ' SD ' ' A' ' 99' ' ' MET . 0.0 OUTLIER -129.8 173.02 11.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.276 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.43 ' OG1' ' N ' ' A' ' 58' ' ' THR . 0.7 OUTLIER -164.94 171.95 13.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 110.413 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.43 ' N ' ' OG1' ' A' ' 57' ' ' THR . 21.7 p -81.52 5.06 19.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.372 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.841 ' HB1' ' HB2' ' A' ' 62' ' ' LYS . . . -149.19 76.84 9.27 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -15.67 20.57 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.548 1.815 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.431 ' O ' ' NE2' ' A' ' 85' ' ' HIS . 14.5 pt-20 -105.84 20.3 19.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 110.305 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.841 ' HB2' ' HB1' ' A' ' 59' ' ' ALA . 7.9 mtpt -125.09 -43.66 1.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.653 ' CE2' ' HB3' ' A' ' 59' ' ' ALA . 35.7 m-85 -109.56 137.75 46.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.9 106.93 18.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.635 HG11 ' HB ' ' A' ' 55' ' ' VAL . 50.5 t -101.48 122.02 53.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.483 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.0 OUTLIER -163.06 129.07 2.28 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.625 ' HD2' HD13 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -75.02 137.04 48.07 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 120.935 -2.527 . . . . 0.0 110.999 0.02 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.454 ' HB3' HG12 ' A' ' 65' ' ' VAL . 90.5 p -112.82 36.04 3.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.999 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 171.33 103.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.402 ' O ' HD11 ' A' ' 114' ' ' LEU . 0.3 OUTLIER 176.43 -160.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.054 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.581 ' HB3' HG22 ' A' ' 109' ' ' THR . 0.0 OUTLIER -138.67 162.64 34.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.968 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.718 ' HB3' HD21 ' A' ' 19' ' ' LEU . 42.2 t -123.8 115.55 21.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 108.261 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -51.13 160.59 0.85 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 134.77 18.18 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.539 1.81 . . . . 0.0 110.966 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.57 33.32 60.99 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.554 1.159 . . . . 0.0 110.993 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -136.21 -179.16 5.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.596 0.821 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.5 p -141.45 132.84 26.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.995 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.866 HD13 ' CE2' ' A' ' 53' ' ' PHE . 1.2 tt -105.1 169.67 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.448 ' OD2' ' CD1' ' A' ' 81' ' ' ILE . 1.8 p-10 -130.32 121.04 25.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.913 HG21 HG21 ' A' ' 55' ' ' VAL . 5.3 mm -115.87 104.26 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.448 ' CD1' ' OD2' ' A' ' 79' ' ' ASP . 2.2 mp -77.46 142.46 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.66 HG11 ' CZ ' ' A' ' 96' ' ' PHE . 54.2 t -139.93 104.6 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.339 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.6 t -124.2 132.16 24.27 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.985 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 85' ' ' HIS . 18.4 Cg_endo -74.98 107.39 2.47 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.475 1.776 . . . . 0.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.536 ' CD2' ' HA ' ' A' ' 62' ' ' LYS . 11.1 m-70 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.606 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.383 -0.229 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.617 HG12 ' HE1' ' A' ' 63' ' ' TYR . 2.2 m -118.84 0.53 7.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.0 m 44.72 -165.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.023 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -118.34 21.84 12.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -106.54 -26.27 11.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.485 ' OD2' ' CE2' ' A' ' 63' ' ' TYR . 24.5 t0 -70.98 152.96 43.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.67 151.83 44.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 110.292 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.66 ' CZ ' HG11 ' A' ' 82' ' ' VAL . 20.0 m-85 -117.21 153.84 32.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.999 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.622 HD23 ' HD2' ' A' ' 130' ' ' ARG . 2.9 tm? -135.38 136.85 41.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.803 ' CD1' HD12 ' A' ' 131' ' ' LEU . 4.2 mt -130.79 128.9 63.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.485 ' SD ' ' CD ' ' A' ' 56' ' ' ARG . 1.9 mtp -106.69 155.79 19.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.419 ' HB1' ' HB2' ' A' ' 19' ' ' LEU . . . -160.71 120.92 2.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.591 ' HB1' HG21 ' A' ' 121' ' ' VAL . . . -131.88 134.86 46.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.946 ' HA ' HG22 ' A' ' 51' ' ' VAL . 1.2 tt0 -68.47 116.11 8.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 110.327 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.831 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 11.3 mtp -88.29 172.17 9.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -61.18 -139.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -102.3 -42.78 5.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.251 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.76 156.56 17.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.007 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 20.1 p -179.25 162.48 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.971 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -114.68 -7.13 18.46 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.491 1.12 . . . . 0.0 110.962 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.825 ' HA ' HD21 ' A' ' 114' ' ' LEU . 69.6 p 46.16 29.69 0.85 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 0.766 . . . . 0.0 110.398 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 1.015 ' O ' HD23 ' A' ' 114' ' ' LEU . . . -78.14 -169.79 35.08 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.491 1.119 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -26.82 10.59 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.454 1.765 . . . . 0.0 111.016 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.487 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -92.73 -59.54 2.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.487 ' C ' ' O ' ' A' ' 112' ' ' ALA . 2.3 mm-40 -32.42 -38.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.343 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 1.015 HD23 ' O ' ' A' ' 110' ' ' GLY . 3.1 mm? -75.53 -70.91 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.06 -30.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.979 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 114' ' ' LEU . 4.0 mm100 -78.71 -51.92 9.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 110.283 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.874 ' O ' HG12 ' A' ' 121' ' ' VAL . 76.4 t80 -59.21 -31.03 68.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' TRP . . . . . 0.539 ' CD1' ' HD2' ' A' ' 54' ' ' LYS . 87.2 m95 -78.8 -12.42 60.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 108.005 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.15 -23.22 18.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -93.53 -42.73 9.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.31 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.874 HG12 ' O ' ' A' ' 117' ' ' PHE . 14.6 p -69.49 125.45 91.98 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.474 ' HG2' ' CG ' ' A' ' 125' ' ' LYS . 18.3 Cg_endo -74.99 151.09 39.13 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.477 1.777 . . . . 0.0 111.028 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.05 -18.76 5.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.267 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -77.29 -21.2 53.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.474 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 26.8 mmtt -103.07 -16.46 15.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.502 HG13 ' HZ3' ' A' ' 118' ' ' TRP . 54.9 t -79.54 113.79 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' MET . . . . . 0.451 ' SD ' ' HD2' ' A' ' 17' ' ' PRO . 29.9 ttp -84.79 100.48 11.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.444 ' HB3' HD21 ' A' ' 97' ' ' LEU . 3.2 mt-10 -90.22 132.1 35.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 110.312 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' HIS . . . . . 0.485 ' NE2' ' CG ' ' A' ' 14' ' ' PHE . 53.2 t-80 -131.33 111.86 12.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.596 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.622 ' HD2' HD23 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -85.66 141.88 29.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 110.285 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.803 HD12 ' CD1' ' A' ' 98' ' ' ILE . 0.3 OUTLIER -117.13 157.1 26.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.501 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 0.7 OUTLIER -128.22 156.39 43.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 14.6 t -88.83 150.13 23.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 108.282 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.613 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.1 m . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.511 HG22 ' CE ' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -125.43 143.17 39.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.552 ' CG ' ' NE2' ' A' ' 129' ' ' HIS . 20.3 t80 -73.43 96.01 2.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.961 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.511 ' CE ' HG22 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -57.2 93.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 109.334 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.74 155.49 30.57 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.436 1.085 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.411 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.2 Cg_endo -75.0 -18.96 18.3 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.472 1.775 . . . . 0.0 111.03 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.657 ' HA ' HG23 ' A' ' 47' ' ' THR . 2.7 mt -120.67 -76.43 0.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.743 HD21 ' HB3' ' A' ' 72' ' ' CYS . 0.0 OUTLIER -110.52 133.0 53.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.654 ' CE1' HG11 ' A' ' 46' ' ' VAL . 0.3 OUTLIER -79.69 156.31 27.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.573 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.603 HD12 HG21 ' A' ' 98' ' ' ILE . 3.0 mm -127.43 127.68 69.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.242 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.451 ' HA ' ' C ' ' A' ' 23' ' ' PRO . 0.5 OUTLIER -138.48 128.61 15.0 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.973 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.451 ' C ' ' HA ' ' A' ' 22' ' ' SER . 18.4 Cg_endo -75.04 178.66 33.74 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 120.964 -2.515 . . . . 0.0 110.982 -0.026 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.98 -85.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.793 ' HA ' HD23 ' A' ' 131' ' ' LEU . 12.4 mt-10 -141.92 63.48 1.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 23' ' ' PRO . 0.3 OUTLIER -162.58 103.47 1.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.606 HD22 HG21 ' A' ' 39' ' ' THR . 13.5 mt -101.48 127.1 48.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.435 ' CD1' ' N ' ' A' ' 28' ' ' TYR . 16.4 m-85 -105.72 93.44 4.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.09 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.614 ' CD2' HG11 ' A' ' 90' ' ' VAL . 54.3 m-85 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.6 mtmm . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.754 ' HD2' HG23 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -115.48 145.36 42.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.606 HG21 HD22 ' A' ' 27' ' ' LEU . 10.2 t -107.16 146.72 30.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.379 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.555 HD12 ' N ' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -118.21 117.43 29.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.555 ' N ' HD12 ' A' ' 40' ' ' LEU . 6.4 mt -90.98 149.96 3.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 t -124.33 136.03 61.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.75 ' HB2' HG22 ' A' ' 78' ' ' ILE . 8.4 mt -120.45 108.57 14.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.404 ' HB ' ' HB2' ' A' ' 20' ' ' HIS . 0.8 OUTLIER -93.99 112.11 23.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.409 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.437 ' CG ' ' HA ' ' A' ' 74' ' ' PRO . 43.5 t-20 -79.76 108.93 13.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.654 HG11 ' CE1' ' A' ' 20' ' ' HIS . 13.6 m -86.17 -39.57 13.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.552 1.158 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.657 HG23 ' HA ' ' A' ' 18' ' ' LEU . 1.7 p -51.26 158.91 0.73 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.424 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -97.57 25.89 5.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.537 ' O ' HG23 ' A' ' 51' ' ' VAL . 6.8 m-80 -148.76 138.13 21.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.412 ' C ' ' O ' ' A' ' 49' ' ' ASN . 10.3 mt -39.37 149.25 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.757 HG22 ' HA ' ' A' ' 102' ' ' GLU . 76.4 t -137.75 128.03 36.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.663 ' HB3' ' CE2' ' A' ' 117' ' ' PHE . . . -90.54 126.37 35.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.601 ' CE1' HD13 ' A' ' 78' ' ' ILE . 47.9 p90 -121.45 162.06 21.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.986 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.537 ' HE3' ' CD1' ' A' ' 118' ' ' TRP . 12.9 mttm -150.5 149.93 30.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.956 HG21 HG21 ' A' ' 80' ' ' ILE . 79.0 t -113.89 115.31 49.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 109.253 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -122.7 136.87 55.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.328 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.464 HG23 ' H ' ' A' ' 59' ' ' ALA . 4.9 t -134.04 169.51 17.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.402 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.1 p -88.5 22.42 2.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.429 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.793 ' HB1' ' HD3' ' A' ' 62' ' ' LYS . . . -174.86 73.33 0.3 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -17.84 19.35 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.509 1.794 . . . . 0.0 111.025 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -92.37 21.27 5.39 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.564 1.165 . . . . 0.0 110.29 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.793 ' HD3' ' HB1' ' A' ' 59' ' ' ALA . 10.2 mtpt -136.09 -46.43 0.64 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.575 ' CE2' ' HB3' ' A' ' 59' ' ' ALA . 30.7 m-85 -102.25 133.84 46.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.8 112.67 24.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 0.6 OUTLIER -116.53 116.12 51.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.439 ' HG2' ' HA ' ' A' ' 67' ' ' PRO . 0.0 OUTLIER -151.95 127.17 4.8 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.691 ' O ' HG23 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -75.0 155.65 99.96 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 121.011 -2.495 . . . . 0.0 111.041 -0.002 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.447 ' CB ' ' CG2' ' A' ' 65' ' ' VAL . 26.1 p -113.37 -18.57 12.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.127 . . . . 0.0 109.981 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -143.58 99.65 3.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.55 ' HB2' ' CZ ' ' A' ' 53' ' ' PHE . 69.6 m -161.99 -177.66 5.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 110.031 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.71 158.26 33.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.964 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.743 ' HB3' HD21 ' A' ' 19' ' ' LEU . 42.6 t -123.31 118.09 26.75 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.492 1.12 . . . . 0.0 108.275 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -55.47 161.25 3.08 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.437 ' HA ' ' CG ' ' A' ' 45' ' ' ASN . 18.4 Cg_endo -74.93 133.94 17.33 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.486 1.782 . . . . 0.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.1 32.2 56.59 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -140.39 177.83 7.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 1.8 p -138.83 137.29 36.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.165 . . . . 0.0 109.977 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.75 HG22 ' HB2' ' A' ' 43' ' ' LEU . 1.1 tt -105.06 168.89 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.425 1.078 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.438 ' OD2' ' CD1' ' A' ' 81' ' ' ILE . 1.4 p-10 -127.25 123.19 35.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.956 HG21 HG21 ' A' ' 55' ' ' VAL . 6.3 mm -118.44 105.85 18.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.358 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.754 HG23 ' HD2' ' A' ' 38' ' ' LYS . 2.2 mp -79.06 141.77 14.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.251 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.529 ' CG1' ' CZ ' ' A' ' 96' ' ' PHE . 93.0 t -136.82 98.86 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.339 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -111.53 120.19 43.22 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.006 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 162.88 36.49 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.509 1.794 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.552 -179.988 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.507 ' OG1' ' N ' ' A' ' 90' ' ' VAL . 2.1 t . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.746 HG23 ' OD2' ' A' ' 94' ' ' ASP . 2.5 p -75.52 123.09 30.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.256 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.448 ' O ' ' HB2' ' A' ' 92' ' ' ALA . 52.4 m -66.0 -86.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 110.038 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.448 ' HB2' ' O ' ' A' ' 91' ' ' SER . . . 178.4 -39.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.251 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -82.18 -8.57 59.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.746 ' OD2' HG23 ' A' ' 90' ' ' VAL . 1.6 m-20 -54.51 141.09 32.4 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 5.0 tpp180 -130.67 137.84 49.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.529 ' CZ ' ' CG1' ' A' ' 82' ' ' VAL . 18.5 m-85 -114.85 105.05 12.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.693 HD11 ' HB3' ' A' ' 128' ' ' GLU . 51.1 tp -83.98 148.2 27.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.712 ' CD1' HD12 ' A' ' 131' ' ' LEU . 2.8 mt -137.63 115.83 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.422 ' O ' ' HA ' ' A' ' 53' ' ' PHE . 15.2 mtp -88.19 152.51 21.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -161.29 117.69 2.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.799 ' HB1' HG21 ' A' ' 121' ' ' VAL . . . -133.09 135.35 45.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.757 ' HA ' HG22 ' A' ' 51' ' ' VAL . 0.9 OUTLIER -70.18 124.37 23.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.564 ' HG2' ' CE2' ' A' ' 117' ' ' PHE . 0.0 OUTLIER -90.07 172.14 9.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.09 . . . . 0.0 111.018 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -72.08 -143.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.26 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -70.72 -162.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.1 m -53.14 104.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.984 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.2 m -127.18 154.72 44.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.01 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -76.94 140.08 24.39 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 76.9 p -94.65 31.84 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.434 0.726 . . . . 0.0 110.39 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -74.84 -178.07 40.34 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.457 1.098 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -14.28 21.17 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.453 1.765 . . . . 0.0 111.015 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -90.43 -72.98 0.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 112' ' ' ALA . 2.5 mm-40 -36.73 -46.38 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.282 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.406 ' C ' ' N ' ' A' ' 116' ' ' GLN . 70.6 mt -60.59 -64.04 1.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -43.79 -26.42 0.25 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 109.963 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.406 ' N ' ' C ' ' A' ' 114' ' ' LEU . 1.1 tt0 -81.39 -54.24 5.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.813 ' O ' HG12 ' A' ' 121' ' ' VAL . 19.0 t80 -56.88 -32.74 66.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 111.011 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' TRP . . . . . 0.537 ' CD1' ' HE3' ' A' ' 54' ' ' LYS . 85.4 m95 -76.98 -12.16 59.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 108.002 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.45 -26.7 15.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.409 ' CG ' ' N ' ' A' ' 121' ' ' VAL . 0.4 OUTLIER -91.52 -42.64 10.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.302 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.813 HG12 ' O ' ' A' ' 117' ' ' PHE . 9.1 p -69.36 121.56 82.53 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 109.342 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.499 ' HG2' ' CG ' ' A' ' 125' ' ' LYS . 18.3 Cg_endo -75.0 155.73 42.93 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.522 1.801 . . . . 0.0 111.023 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.89 -28.92 66.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 110.321 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -66.09 -30.02 70.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.265 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.499 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 36.6 mmtt -90.39 -19.81 23.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 122' ' ' PRO . 50.2 t -75.01 123.38 30.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' MET . . . . . 0.411 ' SD ' ' HD2' ' A' ' 17' ' ' PRO . 37.7 ttp -93.59 118.15 31.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.693 ' HB3' HD11 ' A' ' 97' ' ' LEU . 15.5 mt-10 -104.89 126.89 52.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.276 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' HIS . . . . . 0.552 ' NE2' ' CG ' ' A' ' 14' ' ' PHE . 15.7 t-80 -126.13 112.19 15.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.61 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.415 ' HG3' HD13 ' A' ' 97' ' ' LEU . 7.9 mtp180 -87.53 127.83 35.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.254 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.793 HD23 ' HA ' ' A' ' 25' ' ' GLU . 0.4 OUTLIER -104.45 149.96 24.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.443 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -125.43 153.51 43.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 110.288 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 19.8 p -84.44 161.41 20.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 108.326 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.593 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.2 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.572 HG22 ' HE3' ' A' ' 15' ' ' LYS . 0.8 OUTLIER -124.8 146.86 29.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.25 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.704 ' CG ' ' CE1' ' A' ' 129' ' ' HIS . 23.6 t80 -74.2 96.64 2.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.961 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.572 ' HE3' HG22 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -58.67 95.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -88.91 152.56 23.04 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.44 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.3 Cg_endo -75.02 -18.31 18.79 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.496 1.788 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.499 ' HA ' ' CG2' ' A' ' 47' ' ' THR . 10.8 mt -116.64 -76.34 0.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.784 HD21 ' HB3' ' A' ' 72' ' ' CYS . 0.0 OUTLIER -114.61 134.64 54.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.874 ' CE1' HG11 ' A' ' 46' ' ' VAL . 0.3 OUTLIER -79.82 156.28 27.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.6 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.637 HG21 ' HD2' ' A' ' 129' ' ' HIS . 1.4 mm -128.09 123.7 61.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.445 ' HA ' ' HA ' ' A' ' 23' ' ' PRO . 0.1 OUTLIER -133.14 126.98 19.81 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.005 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.445 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 18.2 Cg_endo -75.03 -179.85 28.15 Favored 'Cis proline' 0 C--N 1.359 1.118 0 C-N-CA 121.005 -2.498 . . . . 0.0 110.979 0.008 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.55 -85.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.636 ' HA ' HD23 ' A' ' 131' ' ' LEU . 0.0 OUTLIER -143.35 59.54 1.4 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -162.17 105.03 1.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.326 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.631 ' HG ' HD22 ' A' ' 131' ' ' LEU . 36.6 mt -99.66 142.74 30.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.548 ' CD1' ' HB3' ' A' ' 134' ' ' HIS . 1.5 m-85 -130.32 91.78 3.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.622 ' CD2' HG11 ' A' ' 90' ' ' VAL . 22.2 m-85 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 110.978 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.29 -0.634 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.559 ' HD3' HG23 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -123.64 141.51 51.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.514 HG22 ' CE1' ' A' ' 29' ' ' PHE . 14.5 t -103.81 132.81 49.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.374 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.656 HD12 ' N ' ' A' ' 41' ' ' ILE . 2.8 tp -112.89 120.96 43.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.338 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.656 ' N ' HD12 ' A' ' 40' ' ' LEU . 16.0 mt -89.84 148.59 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.7 t -116.09 133.74 61.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.877 ' HB2' HG22 ' A' ' 78' ' ' ILE . 29.9 mt -122.89 107.5 11.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.81 105.1 16.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.426 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.669 ' OD1' HD22 ' A' ' 19' ' ' LEU . 10.3 t-20 -69.95 110.7 5.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.874 HG11 ' CE1' ' A' ' 20' ' ' HIS . 13.1 m -99.93 36.72 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.499 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 1.6 p -119.49 165.9 13.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.408 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.34 20.38 11.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -154.15 156.13 36.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.357 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.512 HD12 ' OG ' ' A' ' 107' ' ' SER . 45.2 mt -56.09 148.58 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.931 HG22 ' HA ' ' A' ' 102' ' ' GLU . 54.9 t -136.27 121.82 28.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.53 ' HB3' ' CE2' ' A' ' 117' ' ' PHE . . . -78.85 122.0 25.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.875 ' CE2' HD13 ' A' ' 78' ' ' ILE . 31.8 p90 -113.46 150.56 32.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.584 ' HG3' ' CZ2' ' A' ' 118' ' ' TRP . 7.3 mttt -144.2 126.88 16.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.897 HG21 HG21 ' A' ' 80' ' ' ILE . 48.8 t -105.63 120.16 55.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.493 ' CD ' ' SD ' ' A' ' 99' ' ' MET . 0.0 OUTLIER -124.52 172.58 9.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.329 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.512 HG23 ' H ' ' A' ' 59' ' ' ALA . 5.0 t -159.83 171.27 19.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.42 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.9 p -87.38 20.56 2.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.392 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.785 ' HB1' ' HD3' ' A' ' 62' ' ' LYS . . . -168.91 74.1 0.76 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -16.84 19.94 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.525 1.802 . . . . 0.0 110.966 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -95.9 28.25 3.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.311 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.785 ' HD3' ' HB1' ' A' ' 59' ' ' ALA . 2.2 mtpm? -141.83 -48.87 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.403 ' CE2' ' CG ' ' A' ' 94' ' ' ASP . 40.1 m-85 -101.85 125.93 48.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.957 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.49 105.05 17.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.517 HG11 ' CG1' ' A' ' 55' ' ' VAL . 9.6 t -100.85 128.47 52.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.503 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.3 OUTLIER -162.53 131.73 3.11 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.663 ' HD2' HD13 ' A' ' 80' ' ' ILE . 18.2 Cg_endo -75.0 132.91 29.16 Favored 'Cis proline' 0 C--N 1.361 1.185 0 C-N-CA 120.941 -2.525 . . . . 0.0 111.006 -0.075 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.423 ' N ' ' HA ' ' A' ' 66' ' ' LYS . 82.0 p -113.02 41.11 2.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.03 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.8 t30 169.01 78.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.46 -165.44 1.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.01 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 86.2 p -137.52 151.64 48.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.02 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.784 ' HB3' HD21 ' A' ' 19' ' ' LEU . 50.9 t -111.59 121.66 45.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 108.312 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.78 162.19 17.79 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.258 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 145.58 31.74 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.519 1.799 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 65.69 30.43 77.29 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.439 1.087 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -141.43 -179.72 6.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 0.744 . . . . 0.0 109.331 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.422 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 2.3 p -143.15 136.47 28.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.016 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.877 HG22 ' HB2' ' A' ' 43' ' ' LEU . 1.3 tt -105.29 171.38 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.645 ' HB2' HD11 ' A' ' 40' ' ' LEU . 5.3 p-10 -131.92 119.25 20.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.897 HG21 HG21 ' A' ' 55' ' ' VAL . 7.3 mm -110.83 97.04 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.559 HG23 ' HD3' ' A' ' 38' ' ' LYS . 3.2 mp -71.35 140.58 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.613 HG11 ' CZ ' ' A' ' 96' ' ' PHE . 53.4 t -133.87 121.18 38.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.426 ' HB2' ' CB ' ' A' ' 38' ' ' LYS . 10.3 t -146.23 139.37 14.43 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.049 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 171.58 18.04 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.437 1.756 . . . . 0.0 110.979 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.611 179.99 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.622 HG11 ' CD2' ' A' ' 29' ' ' PHE . 2.6 p -95.15 114.12 31.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.8 m -79.64 -175.56 4.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.964 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -91.95 -22.09 20.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.355 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -80.9 -32.95 34.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.316 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.403 ' CG ' ' CE2' ' A' ' 63' ' ' TYR . 4.2 t0 -48.15 108.05 0.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.01 149.75 23.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.271 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.613 ' CZ ' HG11 ' A' ' 82' ' ' VAL . 9.4 m-85 -113.5 151.01 32.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.456 1.097 . . . . 0.0 111.033 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.733 HD23 ' HD2' ' A' ' 130' ' ' ARG . 3.3 tm? -131.96 138.87 48.48 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.801 ' CD1' HD12 ' A' ' 131' ' ' LEU . 3.4 mt -134.73 126.96 48.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.493 ' SD ' ' CD ' ' A' ' 56' ' ' ARG . 11.9 mtp -104.89 155.65 18.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.502 ' HB1' ' HB2' ' A' ' 19' ' ' LEU . . . -161.29 118.95 2.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.557 ' HB1' HG21 ' A' ' 121' ' ' VAL . . . -132.09 131.93 42.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.931 ' HA ' HG22 ' A' ' 51' ' ' VAL . 1.2 tt0 -69.27 114.56 7.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.587 ' HG2' ' CE1' ' A' ' 117' ' ' PHE . 0.0 OUTLIER -86.66 172.31 10.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 111.007 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -71.14 -143.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -90.85 -76.12 0.45 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.343 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.72 104.13 1.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.16 . . . . 0.0 110.02 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.512 ' OG ' HD12 ' A' ' 50' ' ' ILE . 28.9 p -118.19 125.29 49.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.024 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 109' ' ' THR . . . -86.47 -9.44 75.64 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.455 1.097 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 108' ' ' GLY . 30.4 p 36.44 58.45 1.03 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 0.787 . . . . 0.0 110.407 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -123.05 -161.88 11.33 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -47.68 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.456 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -74.85 -63.63 1.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 112' ' ' ALA . 0.3 OUTLIER -34.78 -54.26 0.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 110.287 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 117' ' ' PHE . 77.7 mt -59.66 -62.05 2.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.508 ' O ' ' CG ' ' A' ' 119' ' ' LYS . 0.6 OUTLIER -46.77 -35.36 6.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.967 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.519 ' HA ' ' CG ' ' A' ' 119' ' ' LYS . 2.3 mt-30 -72.21 -32.9 67.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.633 ' O ' HG12 ' A' ' 121' ' ' VAL . 18.1 t80 -85.21 -25.88 27.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' TRP . . . . . 0.608 ' HA ' HG12 ' A' ' 121' ' ' VAL . 59.9 m95 -84.81 -23.0 29.3 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.519 ' CG ' ' HA ' ' A' ' 116' ' ' GLN . 0.0 OUTLIER -88.52 -26.5 21.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.408 ' CG ' ' HD2' ' A' ' 119' ' ' LYS . 2.1 mt-10 -88.52 -37.39 15.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.633 HG12 ' O ' ' A' ' 117' ' ' PHE . 9.1 p -69.28 124.8 91.21 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.477 ' HG2' ' CG ' ' A' ' 125' ' ' LYS . 18.3 Cg_endo -75.01 153.31 41.65 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.453 1.765 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -16.97 10.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 110.284 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -79.16 -21.09 46.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.477 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 20.4 mmtt -103.94 -12.4 16.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.601 HG12 ' HG3' ' A' ' 128' ' ' GLU . 25.4 t -79.11 104.95 7.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' MET . . . . . 0.475 ' HB2' HD12 ' A' ' 18' ' ' LEU . 27.5 ttp -80.21 102.0 9.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.651 ' HB3' HD21 ' A' ' 97' ' ' LEU . 51.8 mt-10 -100.82 127.42 47.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' HIS . . . . . 0.704 ' CE1' ' CG ' ' A' ' 14' ' ' PHE . 75.9 t60 -128.23 111.64 13.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.649 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.733 ' HD2' HD23 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -82.05 141.1 33.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.31 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.801 HD12 ' CD1' ' A' ' 98' ' ' ILE . 0.3 OUTLIER -116.17 147.11 41.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -96.84 162.87 13.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.36 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 96.7 m -119.0 114.71 22.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 108.259 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' HIS . . . . . 0.548 ' HB3' ' CD1' ' A' ' 28' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.617 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.4 m . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.599 HG22 ' HE3' ' A' ' 15' ' ' LYS . 0.6 OUTLIER -130.25 143.88 39.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.268 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -73.82 96.47 2.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 0.0 111.02 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.599 ' HE3' HG22 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -57.54 100.21 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -89.75 154.57 24.05 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.41 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.3 Cg_endo -75.0 -20.91 16.39 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.489 1.784 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.558 ' HA ' HG23 ' A' ' 47' ' ' THR . 8.4 mt -117.87 -75.63 0.58 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.718 HD22 ' OD1' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -111.21 134.7 52.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.696 ' CE1' HG11 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -79.75 157.39 27.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.587 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.564 HD13 ' CD2' ' A' ' 43' ' ' LEU . 1.4 mm -126.94 124.82 65.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.155 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.479 ' HA ' ' HA ' ' A' ' 23' ' ' PRO . 0.1 OUTLIER -133.05 125.25 18.95 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.988 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.479 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 18.2 Cg_endo -74.98 -165.29 4.06 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 121.019 -2.492 . . . . 0.0 110.989 -0.002 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.17 -89.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.5 ' O ' ' CG ' ' A' ' 132' ' ' ARG . 0.1 OUTLIER -136.62 63.72 1.57 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 110.337 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -162.72 104.71 1.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.299 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 1.004 ' HG ' HG21 ' A' ' 39' ' ' THR . 1.5 tp -98.41 120.48 38.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -111.97 104.94 13.24 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.508 ' CZ ' HD23 ' A' ' 27' ' ' LEU . 95.3 m-85 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 111.031 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.416 ' CD ' HG23 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -118.97 149.27 41.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . 1.004 HG21 ' HG ' ' A' ' 27' ' ' LEU . 7.4 t -115.83 160.47 20.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.41 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.58 HD12 ' N ' ' A' ' 41' ' ' ILE . 0.4 OUTLIER -128.49 120.72 27.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.58 ' N ' HD12 ' A' ' 40' ' ' LEU . 51.1 mt -90.17 141.84 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.0 t -116.59 135.84 55.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.842 ' HB2' HG22 ' A' ' 78' ' ' ILE . 14.8 mt -124.37 107.58 11.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.413 ' HB ' ' HB2' ' A' ' 20' ' ' HIS . 1.3 m -97.11 106.53 18.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.387 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.718 ' OD1' HD22 ' A' ' 19' ' ' LEU . 19.0 t30 -73.89 97.74 2.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.696 HG11 ' CE1' ' A' ' 20' ' ' HIS . 16.3 m -70.45 -38.43 73.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.558 HG23 ' HA ' ' A' ' 18' ' ' LEU . 5.8 p -49.23 163.11 0.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 110.409 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.03 20.88 15.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.592 ' O ' HG23 ' A' ' 51' ' ' VAL . 9.9 m-80 -144.92 137.67 26.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.411 HD12 ' HB2' ' A' ' 107' ' ' SER . 95.4 mt -39.51 145.75 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.934 HG22 ' HA ' ' A' ' 102' ' ' GLU . 48.4 t -137.88 123.63 25.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.59 126.82 33.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.712 ' CE2' HD13 ' A' ' 78' ' ' ILE . 52.1 p90 -118.0 165.72 13.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 110.988 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.574 ' HG3' ' CZ2' ' A' ' 118' ' ' TRP . 31.3 mttt -154.05 130.48 10.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.649 HG21 HG21 ' A' ' 80' ' ' ILE . 89.8 t -109.15 116.04 51.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.507 ' CD ' ' SD ' ' A' ' 99' ' ' MET . 0.0 OUTLIER -127.92 173.12 10.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.27 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.503 HG23 ' H ' ' A' ' 59' ' ' ALA . 3.7 t -161.29 173.89 14.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.369 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.3 p -86.72 19.3 2.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.368 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.503 ' H ' HG23 ' A' ' 57' ' ' THR . . . -164.9 75.08 1.47 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -25.8 11.7 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.567 1.825 . . . . 0.0 111.056 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -91.54 32.99 1.03 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 110.335 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 85' ' ' HIS . 14.5 mtpt -142.83 -48.98 0.34 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.459 ' HE1' HG22 ' A' ' 90' ' ' VAL . 61.3 m-85 -104.19 123.65 47.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.7 mtm-85 -81.35 105.61 12.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.638 HG11 ' CG1' ' A' ' 55' ' ' VAL . 3.7 t -107.14 127.26 63.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.5 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.0 OUTLIER -163.99 131.22 2.48 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.717 ' HD2' HD13 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -74.99 141.27 71.28 Favored 'Cis proline' 0 C--N 1.359 1.111 0 C-N-CA 120.975 -2.51 . . . . 0.0 111.001 -0.057 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.423 ' HB3' ' O ' ' A' ' 65' ' ' VAL . 24.2 p -113.22 31.49 6.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.029 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 171.86 92.41 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.11 . . . . 0.0 109.269 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.03 -165.94 0.96 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.019 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.7 p -137.62 147.6 45.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.486 ' HB3' HD21 ' A' ' 19' ' ' LEU . 51.2 t -115.02 120.17 38.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 108.297 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -58.03 164.46 3.38 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.244 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.407 ' HA ' ' HB3' ' A' ' 45' ' ' ASN . 18.3 Cg_endo -74.97 140.38 25.45 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.568 1.825 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.65 28.2 72.47 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.45 1.094 . . . . 0.0 111.002 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -133.61 -178.39 4.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 2.9 p -142.16 139.52 32.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.974 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.842 HG22 ' HB2' ' A' ' 43' ' ' LEU . 0.5 OUTLIER -105.86 169.26 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -130.63 115.0 16.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.717 HD13 ' HD2' ' A' ' 67' ' ' PRO . 2.5 mm -114.65 110.34 31.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.416 HG23 ' CD ' ' A' ' 38' ' ' LYS . 2.4 mp -82.66 145.79 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.707 HG11 ' CZ ' ' A' ' 96' ' ' PHE . 54.5 t -138.57 97.5 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.7 t -117.42 128.28 26.11 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.582 1.176 . . . . 0.0 110.034 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 85' ' ' HIS . 18.4 Cg_endo -75.0 157.1 42.96 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.518 1.799 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.438 ' N ' ' O ' ' A' ' 62' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.594 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 71.6 p . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.426 -0.212 . . . . 0.0 110.426 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.459 HG22 ' HE1' ' A' ' 63' ' ' TYR . 3.4 t -103.13 -12.73 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.3 t 56.26 172.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.975 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -121.93 12.98 10.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -111.36 -30.81 7.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.293 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.406 ' OD2' ' CE2' ' A' ' 63' ' ' TYR . 14.1 t70 -51.41 161.83 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -149.22 149.63 31.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.707 ' CZ ' HG11 ' A' ' 82' ' ' VAL . 23.1 m-85 -109.56 154.37 22.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.157 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.714 HD11 ' HG3' ' A' ' 99' ' ' MET . 1.4 tm? -134.62 142.6 46.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.792 ' CD1' HD12 ' A' ' 131' ' ' LEU . 3.8 mt -136.87 125.9 36.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.268 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.714 ' HG3' HD11 ' A' ' 97' ' ' LEU . 6.6 mtp -106.87 154.84 20.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.545 ' HB1' ' HB2' ' A' ' 19' ' ' LEU . . . -162.01 118.57 2.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.743 ' HB2' HG23 ' A' ' 126' ' ' VAL . . . -129.83 131.1 46.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.934 ' HA ' HG22 ' A' ' 51' ' ' VAL . 0.9 OUTLIER -70.15 127.47 32.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.263 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.573 ' HG2' ' CE1' ' A' ' 117' ' ' PHE . 12.6 mtp -88.12 171.41 10.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -72.5 -143.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -80.77 -70.59 0.52 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.343 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.07 121.14 26.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 110.038 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.421 ' O ' HG23 ' A' ' 109' ' ' THR . 6.3 m -120.45 114.06 21.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.002 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 109' ' ' THR . . . -70.18 -18.19 74.65 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 108' ' ' GLY . 36.6 p 36.07 71.29 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 0.741 . . . . 0.0 110.391 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.7 ' O ' HD12 ' A' ' 114' ' ' LEU . . . -141.78 -171.18 12.78 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.503 1.127 . . . . 0.0 110.96 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -23.82 13.42 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.552 1.817 . . . . 0.0 111.018 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -92.14 -67.31 0.86 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -39.9 -45.82 1.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.269 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.7 HD12 ' O ' ' A' ' 110' ' ' GLY . 82.1 mt -62.77 -64.11 1.02 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.6 t -46.7 -33.0 3.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.984 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.525 ' HA ' ' CG ' ' A' ' 119' ' ' LYS . 1.3 mt-30 -80.54 -31.33 37.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 110.322 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.663 ' O ' HG12 ' A' ' 121' ' ' VAL . 87.1 t80 -84.66 -20.19 31.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' TRP . . . . . 0.907 ' CZ3' HG21 ' A' ' 126' ' ' VAL . 55.2 m95 -90.36 -25.82 20.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 107.999 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.525 ' CG ' ' HA ' ' A' ' 116' ' ' GLN . 0.0 OUTLIER -84.43 -22.39 30.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -93.39 -42.56 9.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.663 HG12 ' O ' ' A' ' 117' ' ' PHE . 9.8 p -69.82 119.39 71.02 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.6 ' O ' HG12 ' A' ' 126' ' ' VAL . 18.2 Cg_endo -75.04 167.92 25.95 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.444 1.76 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.554 ' HA ' HG12 ' A' ' 126' ' ' VAL . 0.0 OUTLIER -76.16 1.34 16.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -101.07 -13.84 18.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.515 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 29.3 mmtt -104.15 -26.96 12.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.907 HG21 ' CZ3' ' A' ' 118' ' ' TRP . 11.7 p -94.39 140.85 15.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' MET . . . . . 0.451 ' HG2' ' N ' ' A' ' 128' ' ' GLU . 66.6 ttp -80.31 157.36 26.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.451 ' N ' ' HG2' ' A' ' 127' ' ' MET . 62.5 mt-10 -143.89 110.4 5.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' HIS . . . . . 0.471 ' HD2' HG21 ' A' ' 21' ' ' ILE . 70.7 t60 -121.77 116.15 23.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.61 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.673 ' HD2' HD23 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -88.35 138.24 31.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.309 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.792 HD22 HD13 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -110.09 145.93 36.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.5 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 3.4 ptt180 -113.57 142.95 45.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 110.315 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 25.4 p -88.34 135.01 33.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 108.297 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.607 -179.987 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.4 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.49 HG22 ' CE ' ' A' ' 15' ' ' LYS . 0.6 OUTLIER -129.12 141.15 47.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -73.58 96.39 2.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.656 ' HD3' ' CD2' ' A' ' 20' ' ' HIS . 9.2 mmtp -58.92 104.92 0.27 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.359 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.35 155.71 21.44 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.442 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.3 Cg_endo -75.03 -17.97 19.04 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.542 1.812 . . . . 0.0 110.97 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.627 ' HA ' HG23 ' A' ' 47' ' ' THR . 3.8 mt -119.88 -75.13 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.747 HD22 ' OD1' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -110.02 127.56 54.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.656 ' CD2' ' HD3' ' A' ' 15' ' ' LYS . 0.3 OUTLIER -79.48 124.64 28.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.606 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.904 HG21 ' CD2' ' A' ' 129' ' ' HIS . 1.4 mm -95.03 141.24 15.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.168 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.47 ' O ' HG23 ' A' ' 41' ' ' ILE . 1.2 t -149.07 130.26 7.17 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.085 . . . . 0.0 109.998 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.455 ' C ' ' HA ' ' A' ' 22' ' ' SER . 18.5 Cg_endo -74.99 -162.53 2.81 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 121.016 -2.493 . . . . 0.0 110.998 0.015 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.86 -93.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.419 ' HB2' ' CG ' ' A' ' 132' ' ' ARG . 0.7 OUTLIER -129.45 55.05 1.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -163.27 103.42 0.97 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.795 ' HG ' HD12 ' A' ' 131' ' ' LEU . 27.4 mt -97.78 135.25 39.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.457 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 11.0 m-85 -109.46 109.25 20.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.659 ' CG ' HG11 ' A' ' 90' ' ' VAL . 82.5 m-85 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.3 mttt . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.434 ' HG2' ' N ' ' A' ' 39' ' ' THR . 0.0 OUTLIER -119.12 145.84 45.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.26 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.575 ' OG1' HD22 ' A' ' 27' ' ' LEU . 8.9 t -109.15 158.9 17.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 110.369 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.506 ' CD1' ' C ' ' A' ' 80' ' ' ILE . 0.8 OUTLIER -132.29 116.66 17.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 109.305 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.919 HD13 HD11 ' A' ' 98' ' ' ILE . 77.0 mt -90.24 139.49 17.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.2 t -114.54 133.03 61.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.359 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.861 ' HB2' HG22 ' A' ' 78' ' ' ILE . 45.6 mt -116.8 101.91 8.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.417 ' C ' HD13 ' A' ' 19' ' ' LEU . 1.0 OUTLIER -93.83 104.35 16.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.385 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.747 ' OD1' HD22 ' A' ' 19' ' ' LEU . 25.8 t30 -75.9 106.23 7.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.463 HG11 ' CE1' ' A' ' 20' ' ' HIS . 26.5 m -82.29 -41.54 18.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.627 HG23 ' HA ' ' A' ' 18' ' ' LEU . 2.0 p -46.03 155.46 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.431 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.3 tptt -94.55 28.41 2.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.246 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.571 ' O ' HG23 ' A' ' 51' ' ' VAL . 14.6 m-80 -151.5 134.84 16.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.43 ' CG1' ' HD3' ' A' ' 74' ' ' PRO . 59.1 mt -38.79 148.1 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.979 HG22 ' HA ' ' A' ' 102' ' ' GLU . 54.4 t -139.0 128.35 30.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.374 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.563 ' HB3' ' HE2' ' A' ' 117' ' ' PHE . . . -84.68 133.54 34.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.741 ' CE2' HD13 ' A' ' 78' ' ' ILE . 28.0 p90 -127.06 145.56 50.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 111.056 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.52 ' HD2' ' CE2' ' A' ' 118' ' ' TRP . 17.8 mttt -140.41 128.58 22.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.654 HG13 HG13 ' A' ' 98' ' ' ILE . 25.5 t -106.38 128.67 60.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.466 ' NE ' ' SD ' ' A' ' 99' ' ' MET . 0.0 OUTLIER -137.9 146.41 43.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 110.312 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.3 t -127.04 165.33 19.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.429 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 29.0 p -75.91 -0.36 21.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.344 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.804 ' HB1' ' HD3' ' A' ' 62' ' ' LYS . . . -153.32 75.28 6.57 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 0.23 9.15 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.517 1.798 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -106.22 10.61 31.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.266 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.804 ' HD3' ' HB1' ' A' ' 59' ' ' ALA . 10.5 mtpt -123.47 -47.4 1.98 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -101.55 145.33 29.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.978 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -101.6 101.2 11.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.3 t -98.05 125.14 51.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.259 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.5 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.4 OUTLIER -162.45 131.2 2.98 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.346 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.755 ' HD2' HD13 ' A' ' 80' ' ' ILE . 18.5 Cg_endo -74.97 134.83 37.69 Favored 'Cis proline' 0 C--N 1.359 1.124 0 C-N-CA 121.021 -2.491 . . . . 0.0 110.997 0.05 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.48 ' O ' ' CB ' ' A' ' 69' ' ' ASN . 87.0 p -112.78 50.18 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.018 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.48 ' CB ' ' O ' ' A' ' 68' ' ' SER . 2.1 m-20 156.61 95.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -176.72 -162.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.988 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 94.3 p -136.86 158.28 44.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.987 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 46.0 t -120.0 119.45 33.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 108.328 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -55.1 162.11 2.17 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.43 ' HD3' ' CG1' ' A' ' 50' ' ' ILE . 18.5 Cg_endo -75.01 139.49 24.32 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.466 1.772 . . . . 0.0 111.041 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.47 30.96 73.32 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -135.8 -178.63 5.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 0.745 . . . . 0.0 109.295 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.404 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 2.9 p -144.11 135.72 25.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.966 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.861 HG22 ' HB2' ' A' ' 43' ' ' LEU . 1.0 OUTLIER -104.74 171.46 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -131.59 117.19 18.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.36 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.755 HD13 ' HD2' ' A' ' 67' ' ' PRO . 3.4 mm -113.89 106.03 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.246 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.41 HD12 ' CD1' ' A' ' 40' ' ' LEU . 2.1 mp -78.65 146.63 7.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.676 HG11 ' CZ ' ' A' ' 96' ' ' PHE . 55.7 t -141.15 97.72 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.168 . . . . 0.0 109.266 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -111.4 125.74 29.91 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.162 . . . . 0.0 109.969 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 85' ' ' HIS . 18.4 Cg_endo -74.98 107.21 2.43 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.516 1.798 . . . . 0.0 111.04 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.418 ' N ' ' O ' ' A' ' 62' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.63 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.446 ' OG1' ' N ' ' A' ' 90' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.41 -0.219 . . . . 0.0 110.41 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.659 HG11 ' CG ' ' A' ' 29' ' ' PHE . 10.8 p -102.84 138.34 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.7 m -124.15 177.6 5.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 109.976 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -92.7 36.9 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -109.03 -30.37 8.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.27 170.85 8.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.53 157.95 43.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.349 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.676 ' CZ ' HG11 ' A' ' 82' ' ' VAL . 62.7 m-85 -114.26 152.41 31.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 111.023 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.765 HD21 ' HB3' ' A' ' 128' ' ' GLU . 3.4 tm? -133.24 136.93 45.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.919 HD11 HD13 ' A' ' 41' ' ' ILE . 3.2 mt -128.18 138.13 55.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.484 ' HE3' ' CZ3' ' A' ' 118' ' ' TRP . 13.0 mtp -112.58 153.74 27.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.522 ' HB1' ' HB2' ' A' ' 19' ' ' LEU . . . -161.52 119.57 2.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.652 ' HB1' HG21 ' A' ' 121' ' ' VAL . . . -134.98 131.23 36.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.979 ' HA ' HG22 ' A' ' 51' ' ' VAL . 1.6 tt0 -69.87 130.87 43.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.313 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.631 ' CG ' ' CE2' ' A' ' 117' ' ' PHE . 35.3 mtp -98.28 170.94 8.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 111.033 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -77.37 -143.13 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -55.09 -168.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.319 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.6 m -53.09 111.81 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.995 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 83.7 p -87.63 -178.21 6.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.107 . . . . 0.0 109.999 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -107.09 -13.88 20.25 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.473 1.108 . . . . 0.0 110.966 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 80.2 p 45.2 70.06 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.773 . . . . 0.0 110.402 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.418 ' O ' ' CG ' ' A' ' 114' ' ' LEU . . . -135.23 -168.83 11.72 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.544 1.152 . . . . 0.0 111.031 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -20.73 16.54 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.492 1.785 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -92.45 -70.95 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 112' ' ' ALA . 2.9 mm-40 -37.7 -45.63 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 110.295 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 117' ' ' PHE . 79.1 mt -61.12 -65.95 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.337 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.492 ' O ' ' CG ' ' A' ' 119' ' ' LYS . 0.2 OUTLIER -49.47 -28.29 5.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.957 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.521 ' HA ' ' CG ' ' A' ' 119' ' ' LYS . 2.2 mt-30 -82.51 -30.21 29.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.311 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.631 ' CE2' ' CG ' ' A' ' 103' ' ' MET . 29.7 t80 -86.65 -24.17 25.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 111.071 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' TRP . . . . . 0.583 ' HA ' HG12 ' A' ' 121' ' ' VAL . 54.5 m95 -87.65 -20.99 25.55 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.516 1.135 . . . . 0.0 108.022 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.521 ' CG ' ' HA ' ' A' ' 116' ' ' GLN . 0.0 OUTLIER -89.85 -26.52 20.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.463 ' CG ' ' HD2' ' A' ' 119' ' ' LYS . 2.6 mt-10 -88.71 -38.99 14.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.336 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.652 HG21 ' HB1' ' A' ' 101' ' ' ALA . 7.2 p -68.29 124.75 90.51 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.484 ' HG2' ' CG ' ' A' ' 125' ' ' LYS . 18.4 Cg_endo -74.93 144.24 30.29 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.485 1.782 . . . . 0.0 111.028 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.518 ' CD ' ' N ' ' A' ' 124' ' ' ASN . 0.0 OUTLIER -49.3 -19.89 0.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 110.278 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ASN . . . . . 0.518 ' N ' ' CD ' ' A' ' 123' ' ' ARG . 2.5 t30 -73.88 -33.13 63.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.35 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.484 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 24.7 mmtt -93.73 0.19 56.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.25 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.494 HG13 ' HZ3' ' A' ' 118' ' ' TRP . 74.8 t -94.1 107.94 19.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' MET . . . . . 0.442 ' SD ' ' HD2' ' A' ' 17' ' ' PRO . 39.9 ttp -83.65 113.03 20.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 111.016 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.765 ' HB3' HD21 ' A' ' 97' ' ' LEU . 16.5 mt-10 -106.81 127.69 53.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' HIS . . . . . 0.904 ' CD2' HG21 ' A' ' 21' ' ' ILE . 71.8 t60 -120.62 128.3 52.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.592 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.574 ' HD2' HD23 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -100.37 118.68 37.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.148 . . . . 0.0 110.306 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.795 HD12 ' HG ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -92.52 142.7 27.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 27' ' ' LEU . 2.5 mmt85 -105.95 160.06 15.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.27 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 11.4 t -98.69 135.05 40.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 108.29 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 27' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.571 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.3 m . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.602 HG22 ' CE ' ' A' ' 15' ' ' LYS . 0.6 OUTLIER -127.25 143.47 40.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -74.16 96.44 2.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.602 ' CE ' HG22 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -56.86 104.89 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 109.304 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -94.02 155.48 21.96 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.512 1.133 . . . . 0.0 111.011 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -19.31 17.91 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.463 1.77 . . . . 0.0 111.011 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.569 ' HA ' HG23 ' A' ' 47' ' ' THR . 5.4 mt -120.97 -76.05 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.579 ' HB2' ' HB1' ' A' ' 100' ' ' ALA . 0.0 OUTLIER -109.83 135.09 51.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.572 ' CE1' HG11 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -79.36 156.23 28.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.592 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.656 HD13 ' CD2' ' A' ' 43' ' ' LEU . 1.7 mm -128.32 130.44 69.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.531 ' O ' HG23 ' A' ' 41' ' ' ILE . 0.3 OUTLIER -145.28 132.45 10.15 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.054 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 22' ' ' SER . 18.4 Cg_endo -74.99 168.33 77.76 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 121.031 -2.487 . . . . 0.0 111.019 0.045 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.425 ' O ' ' O ' ' A' ' 23' ' ' PRO . . . -47.05 -96.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.508 ' O ' ' CG ' ' A' ' 132' ' ' ARG . 39.3 mt-10 -130.66 62.37 1.6 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.152 . . . . 0.0 110.325 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.422 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 0.4 OUTLIER -164.05 103.26 0.88 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 1.076 HD22 HD22 ' A' ' 131' ' ' LEU . 0.1 OUTLIER -91.2 143.79 26.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -132.37 96.26 3.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 110.949 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.535 ' CE2' HG22 ' A' ' 39' ' ' THR . 84.4 m-85 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.9 mttt . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.575 ' HD2' HG23 ' A' ' 81' ' ' ILE . 0.2 OUTLIER -127.49 142.64 51.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.535 HG22 ' CE2' ' A' ' 29' ' ' PHE . 6.2 t -111.37 158.33 19.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.401 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.598 HD12 ' N ' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -128.7 118.55 23.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.598 ' N ' HD12 ' A' ' 40' ' ' LEU . 62.7 mt -90.8 151.92 3.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 t -126.09 137.49 57.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.783 ' HB2' HG22 ' A' ' 78' ' ' ILE . 16.2 mt -124.28 110.17 14.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -98.09 110.64 23.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.403 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 72' ' ' CYS . 13.6 t-20 -78.88 106.77 11.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.572 HG11 ' CE1' ' A' ' 20' ' ' HIS . 12.8 m -82.81 -39.06 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.412 1.07 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.569 HG23 ' HA ' ' A' ' 18' ' ' LEU . 1.6 p -51.32 152.37 2.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.439 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -92.82 29.58 1.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.629 ' O ' HG23 ' A' ' 51' ' ' VAL . 21.5 m-80 -151.07 136.56 17.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 49' ' ' ASN . 25.8 mt -39.18 145.48 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.81 HG22 ' HA ' ' A' ' 102' ' ' GLU . 76.3 t -137.7 123.57 26.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.467 ' HB3' ' HE2' ' A' ' 117' ' ' PHE . . . -81.6 121.26 26.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.891 ' CE2' HD13 ' A' ' 78' ' ' ILE . 25.7 p90 -110.33 163.09 13.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.971 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.449 ' HB2' ' HE2' ' A' ' 99' ' ' MET . 15.1 mttm -157.86 154.13 27.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.647 HG21 HG21 ' A' ' 80' ' ' ILE . 21.6 t -134.22 124.73 46.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.55 ' HG3' ' HB3' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -130.89 166.29 21.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.439 ' OG1' ' N ' ' A' ' 58' ' ' THR . 1.9 t -151.64 176.01 11.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 110.411 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.439 ' N ' ' OG1' ' A' ' 57' ' ' THR . 7.7 p -88.49 21.78 2.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 110.419 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.79 ' HB1' ' CD ' ' A' ' 62' ' ' LYS . . . -165.01 74.39 1.45 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 7.31 2.91 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.446 1.761 . . . . 0.0 110.971 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -125.4 20.85 7.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.79 ' CD ' ' HB1' ' A' ' 59' ' ' ALA . 3.9 mttm -134.46 -47.54 0.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -106.9 118.58 37.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.92 119.88 25.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.137 . . . . 0.0 110.351 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.751 HG13 HG22 ' A' ' 82' ' ' VAL . 2.2 t -115.53 132.15 65.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.521 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.4 OUTLIER -161.93 134.32 4.28 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.845 ' HD2' HD13 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -75.02 133.15 30.1 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 121.0 -2.5 . . . . 0.0 110.982 0.028 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.432 ' N ' ' HA ' ' A' ' 66' ' ' LYS . 88.8 p -112.98 42.5 1.87 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 110.013 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.447 ' N ' ' OD1' ' A' ' 69' ' ' ASN . 9.0 p-10 167.2 84.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.107 . . . . 0.0 109.348 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.09 -169.35 0.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 110.007 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 93.8 p -132.2 158.55 41.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.968 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.578 ' HB3' HD21 ' A' ' 19' ' ' LEU . 51.8 t -119.34 125.09 48.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 108.297 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.55 162.7 10.71 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.437 1.086 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 139.08 23.77 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.502 1.79 . . . . 0.0 110.969 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.63 35.49 86.18 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -139.05 -178.56 5.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 0.731 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 2.2 p -142.59 134.66 27.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.983 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.891 HD13 ' CE2' ' A' ' 53' ' ' PHE . 1.1 tt -105.05 169.23 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -128.12 119.82 26.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.845 HD13 ' HD2' ' A' ' 67' ' ' PRO . 2.7 mm -116.1 104.58 16.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.575 HG23 ' HD2' ' A' ' 38' ' ' LYS . 2.3 mp -77.96 146.51 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.751 HG22 HG13 ' A' ' 65' ' ' VAL . 96.3 t -136.82 98.22 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.253 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -116.94 124.28 29.37 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 110.017 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.462 ' HG3' ' CG1' ' A' ' 90' ' ' VAL . 18.4 Cg_endo -75.0 175.83 10.72 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.431 1.753 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.572 ' CD2' ' HA ' ' A' ' 62' ' ' LYS . 1.1 m-70 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.625 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.461 ' OG1' ' N ' ' A' ' 90' ' ' VAL . 1.7 t . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.462 ' CG1' ' HG3' ' A' ' 84' ' ' PRO . 3.3 m -100.81 5.42 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.363 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.4 m 40.04 -156.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.949 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -128.41 18.17 6.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -112.12 -24.23 9.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.138 . . . . 0.0 110.274 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -59.45 139.17 57.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.244 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.69 142.43 51.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.458 ' O ' ' N ' ' A' ' 131' ' ' LEU . 39.2 m-85 -116.87 142.99 46.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.829 HD13 ' N ' ' A' ' 98' ' ' ILE . 1.7 tm? -128.46 147.29 50.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.341 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.829 ' N ' HD13 ' A' ' 97' ' ' LEU . 3.3 mt -135.43 131.31 51.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.461 ' HG3' HD11 ' A' ' 97' ' ' LEU . 2.0 mtp -107.79 154.44 21.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.579 ' HB1' ' HB2' ' A' ' 19' ' ' LEU . . . -161.44 117.59 2.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.792 ' HB2' HG23 ' A' ' 126' ' ' VAL . . . -128.78 132.99 47.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.81 ' HA ' HG22 ' A' ' 51' ' ' VAL . 1.2 tt0 -69.9 121.51 17.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.632 ' CG ' ' CZ ' ' A' ' 117' ' ' PHE . 9.6 mtp -85.33 171.47 11.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 111.025 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -81.07 -170.32 2.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -49.59 -84.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.353 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.15 122.01 25.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.979 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.761 ' O ' HG23 ' A' ' 109' ' ' THR . 13.3 m -124.76 104.17 8.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.985 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 109' ' ' THR . . . -52.06 -19.92 5.99 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.761 HG23 ' O ' ' A' ' 107' ' ' SER . 51.6 p 38.04 51.35 1.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 0.758 . . . . 0.0 110.391 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.723 ' O ' HD12 ' A' ' 114' ' ' LEU . . . -120.6 -168.68 13.71 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.5 1.125 . . . . 0.0 110.971 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -28.1 9.43 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.555 1.818 . . . . 0.0 111.026 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -87.5 -67.7 0.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 117' ' ' PHE . 1.5 mm-40 -38.28 -47.3 1.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.723 HD12 ' O ' ' A' ' 110' ' ' GLY . 78.2 mt -60.04 -66.1 0.57 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.73 -33.69 3.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 110.032 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.525 ' HA ' ' CG ' ' A' ' 119' ' ' LYS . 2.0 mt-30 -80.14 -32.12 38.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.258 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.632 ' CZ ' ' CG ' ' A' ' 103' ' ' MET . 75.5 t80 -84.2 -18.6 36.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 111.067 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' TRP . . . . . 0.898 ' CZ3' HG21 ' A' ' 126' ' ' VAL . 55.1 m95 -92.37 -26.49 18.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 107.99 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.525 ' CG ' ' HA ' ' A' ' 116' ' ' GLN . 0.0 OUTLIER -83.62 -23.51 31.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -92.15 -41.65 10.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 110.296 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.651 HG12 ' HA ' ' A' ' 118' ' ' TRP . 9.9 p -69.26 119.45 70.42 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.6 ' O ' HG12 ' A' ' 126' ' ' VAL . 18.1 Cg_endo -75.02 170.02 21.34 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.472 1.775 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.563 ' HA ' HG12 ' A' ' 126' ' ' VAL . 0.0 OUTLIER -77.63 0.66 22.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -100.46 -13.89 18.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.514 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 30.1 mmtt -104.25 -26.93 12.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.898 HG21 ' CZ3' ' A' ' 118' ' ' TRP . 14.9 p -95.65 140.17 17.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' MET . . . . . 0.45 ' O ' ' HA ' ' A' ' 99' ' ' MET . 66.9 ttp -81.47 156.1 25.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.482 ' HB3' HD21 ' A' ' 97' ' ' LEU . 40.6 mt-10 -142.43 113.8 7.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 110.311 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' HIS . . . . . 0.642 ' HD2' HG21 ' A' ' 21' ' ' ILE . 84.0 t60 -119.98 126.51 51.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 109.639 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.418 ' HD2' HD23 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -98.32 125.25 43.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.287 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 1.076 HD22 HD22 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -99.62 144.37 28.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.157 . . . . 0.0 109.302 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.508 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 7.7 ptp180 -115.24 154.75 28.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.282 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' CYS . . . . . 0.417 ' SG ' HG21 ' A' ' 90' ' ' VAL . 1.9 t -91.87 144.61 25.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 108.29 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.597 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.752 HG22 ' OG ' ' A' ' 22' ' ' SER . 65.2 t -137.16 133.05 47.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.519 ' CG ' ' CE1' ' A' ' 129' ' ' HIS . 53.5 t80 -75.6 94.87 3.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.478 ' HG3' ' NE2' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -63.93 84.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.17 154.64 46.56 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.48 1.113 . . . . 0.0 111.014 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.5 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.2 Cg_endo -75.01 -18.5 18.66 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.471 1.774 . . . . 0.0 110.97 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.62 ' HA ' HG23 ' A' ' 47' ' ' THR . 0.4 OUTLIER -125.04 -69.31 0.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.748 HD23 ' CG1' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -109.64 128.81 55.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.248 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.478 ' NE2' ' HG3' ' A' ' 15' ' ' LYS . 0.2 OUTLIER -82.95 120.38 25.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.631 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.964 HG21 ' CD2' ' A' ' 129' ' ' HIS . 1.5 mm -94.16 136.49 25.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.752 ' OG ' HG22 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -145.1 129.21 8.79 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.026 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.524 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 18.2 Cg_endo -75.04 -161.67 2.56 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 120.994 -2.503 . . . . 0.0 110.965 0.049 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.58 -107.28 0.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.452 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 0.3 OUTLIER -100.69 65.13 1.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.327 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.524 ' O ' ' HG2' ' A' ' 23' ' ' PRO . 0.0 OUTLIER -163.98 146.85 9.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.298 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.711 ' HG ' HG21 ' A' ' 39' ' ' THR . 1.0 OUTLIER -147.63 123.0 10.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -121.25 102.59 8.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 111.046 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.432 ' CE2' HG12 ' A' ' 82' ' ' VAL . 9.0 m-85 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.5 mttm . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.556 ' HD2' HG23 ' A' ' 81' ' ' ILE . 0.2 OUTLIER -150.16 142.31 24.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.711 HG21 ' HG ' ' A' ' 27' ' ' LEU . 14.5 t -110.31 163.82 13.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.112 . . . . 0.0 110.371 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.504 ' CD1' ' C ' ' A' ' 80' ' ' ILE . 0.3 OUTLIER -132.76 117.65 18.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.232 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.902 HD13 HD11 ' A' ' 98' ' ' ILE . 21.5 mt -92.52 130.92 40.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 t -106.07 133.13 51.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.868 ' HB2' HG22 ' A' ' 78' ' ' ILE . 27.8 mt -116.04 101.16 8.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -91.22 108.56 19.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.415 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.441 ' CG ' ' HA ' ' A' ' 74' ' ' PRO . 52.4 t-20 -78.57 106.05 10.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.472 HG11 ' CE1' ' A' ' 20' ' ' HIS . 35.6 m -85.78 -39.25 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.62 HG23 ' HA ' ' A' ' 18' ' ' LEU . 1.6 p -51.7 154.96 1.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.406 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.93 29.76 2.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.58 ' O ' HG23 ' A' ' 51' ' ' VAL . 7.5 m-80 -152.07 137.01 17.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.269 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.415 ' C ' ' O ' ' A' ' 49' ' ' ASN . 23.8 mt -38.85 148.35 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.777 HG22 ' HA ' ' A' ' 102' ' ' GLU . 73.6 t -138.77 123.1 20.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.603 ' HB3' ' HE2' ' A' ' 117' ' ' PHE . . . -84.39 131.9 34.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.355 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.614 ' CE2' HD13 ' A' ' 78' ' ' ILE . 44.4 p90 -124.39 144.56 49.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.992 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.57 ' HE3' ' CD1' ' A' ' 118' ' ' TRP . 9.5 mttt -137.49 124.25 21.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 1.03 HG21 HG21 ' A' ' 80' ' ' ILE . 39.9 t -95.13 121.99 46.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -126.73 141.57 51.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.532 1.145 . . . . 0.0 110.304 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.506 HG23 ' H ' ' A' ' 59' ' ' ALA . 5.1 t -135.48 170.89 15.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 110.375 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 24.1 p -88.26 21.22 2.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.415 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.775 ' HB1' ' HB2' ' A' ' 62' ' ' LYS . . . -164.65 75.32 1.53 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.127 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -1.24 10.98 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.53 1.805 . . . . 0.0 110.965 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.467 ' O ' ' CD2' ' A' ' 85' ' ' HIS . 14.1 pt-20 -118.82 12.1 12.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.775 ' HB2' ' HB1' ' A' ' 59' ' ' ALA . 20.1 mttt -124.79 -50.2 1.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.356 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.574 ' CD2' ' HB3' ' A' ' 59' ' ' ALA . 31.1 m-85 -102.64 115.22 30.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 110.969 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.28 106.81 13.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.325 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.918 HG13 HG22 ' A' ' 82' ' ' VAL . 2.1 t -104.51 132.43 51.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.51 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.0 OUTLIER -163.01 134.51 3.79 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.753 ' HD2' HD13 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -74.99 133.68 32.5 Favored 'Cis proline' 0 C--N 1.359 1.12 0 C-N-CA 121.024 -2.49 . . . . 0.0 111.038 -0.029 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.415 ' HB3' ' O ' ' A' ' 65' ' ' VAL . 88.6 p -110.97 45.43 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.983 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 68' ' ' SER . 0.6 OUTLIER 164.11 88.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.438 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 3.3 t -173.37 -177.34 1.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.006 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 54.4 p -124.51 158.31 33.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.018 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 44.4 t -118.2 116.4 26.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 108.304 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -53.02 161.97 1.13 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.441 ' HA ' ' CG ' ' A' ' 45' ' ' ASN . 18.3 Cg_endo -75.04 138.73 23.3 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.65 32.87 71.03 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -138.46 -179.16 5.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 0.745 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.5 p -143.54 134.47 25.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.999 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.868 HG22 ' HB2' ' A' ' 43' ' ' LEU . 1.1 tt -104.78 169.96 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -128.77 118.38 22.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 1.03 HG21 HG21 ' A' ' 55' ' ' VAL . 3.7 mm -114.55 111.54 36.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.556 HG23 ' HD2' ' A' ' 38' ' ' LYS . 1.9 mp -82.15 147.22 6.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.918 HG22 HG13 ' A' ' 65' ' ' VAL . 64.2 t -140.72 98.52 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 29.5 t -125.04 143.64 44.73 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 110.008 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 171.42 18.35 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.534 1.807 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.467 ' CD2' ' O ' ' A' ' 61' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.586 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.453 ' OG1' ' N ' ' A' ' 90' ' ' VAL . 1.4 t . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.453 ' N ' ' OG1' ' A' ' 89' ' ' THR . 1.3 m -84.99 135.02 25.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.138 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.42 -168.96 1.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.004 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -85.66 -9.67 56.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -92.56 -25.77 18.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 110.306 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.571 ' OD1' ' CE2' ' A' ' 63' ' ' TYR . 42.8 t0 -60.12 128.35 36.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.155 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.426 ' HG3' ' N ' ' A' ' 96' ' ' PHE . 7.5 tpp180 -133.16 142.76 48.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.679 ' CZ ' ' CG1' ' A' ' 82' ' ' VAL . 38.4 m-85 -115.47 154.32 29.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.953 HD11 ' HB3' ' A' ' 128' ' ' GLU . 24.7 tp -137.76 146.4 43.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.902 HD11 HD13 ' A' ' 41' ' ' ILE . 3.4 mt -136.71 120.93 24.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.547 ' HB3' ' CH2' ' A' ' 118' ' ' TRP . 9.9 mtm -93.83 156.14 16.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.602 ' HB3' ' HB3' ' A' ' 127' ' ' MET . . . -161.41 121.0 2.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.743 ' HB1' HG21 ' A' ' 121' ' ' VAL . . . -133.41 130.32 38.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.777 ' HA ' HG22 ' A' ' 51' ' ' VAL . 0.7 OUTLIER -70.34 120.4 15.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.557 ' HG2' ' CZ ' ' A' ' 117' ' ' PHE . 12.5 mtp -85.59 171.71 11.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -79.91 -169.83 2.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -52.35 -84.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.266 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.27 121.88 22.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.1 . . . . 0.0 109.973 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.2 m -122.82 130.25 52.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 110.003 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -79.92 -29.75 45.7 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.57 1.169 . . . . 0.0 110.963 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 59.7 p 46.99 70.55 0.39 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.544 0.791 . . . . 0.0 110.389 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.459 ' O ' HD12 ' A' ' 114' ' ' LEU . . . -140.59 -158.78 7.69 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.477 1.111 . . . . 0.0 111.026 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -50.49 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.542 1.812 . . . . 0.0 110.977 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -73.45 -64.09 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.252 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 112' ' ' ALA . 0.5 OUTLIER -34.43 -54.45 0.53 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.327 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.459 HD12 ' O ' ' A' ' 110' ' ' GLY . 73.0 mt -56.57 -64.79 0.75 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.169 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.411 ' O ' ' CG ' ' A' ' 119' ' ' LYS . 0.1 OUTLIER -47.75 -31.6 4.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.003 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.523 ' HA ' ' CG ' ' A' ' 119' ' ' LYS . 1.6 mt-30 -79.33 -31.2 43.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.337 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.607 ' O ' HG12 ' A' ' 121' ' ' VAL . 33.8 t80 -85.38 -21.79 28.69 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' TRP . . . . . 0.597 ' HA ' HG12 ' A' ' 121' ' ' VAL . 60.9 m95 -89.32 -23.39 22.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 108.047 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.523 ' CG ' ' HA ' ' A' ' 116' ' ' GLN . 0.0 OUTLIER -86.99 -27.99 22.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.274 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.46 ' CG ' ' HD2' ' A' ' 119' ' ' LYS . 2.3 mt-10 -86.09 -39.84 16.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.555 1.16 . . . . 0.0 110.316 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.743 HG21 ' HB1' ' A' ' 101' ' ' ALA . 7.4 p -69.04 127.42 93.08 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.831 ' O ' HG23 ' A' ' 126' ' ' VAL . 18.2 Cg_endo -75.03 172.63 16.0 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.486 1.782 . . . . 0.0 111.017 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.68 -20.71 60.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -76.22 -20.07 57.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.09 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.493 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 18.5 mmtt -103.94 -16.48 15.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.091 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.831 HG23 ' O ' ' A' ' 122' ' ' PRO . 41.5 t -78.44 104.8 6.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' MET . . . . . 0.602 ' HB3' ' HB3' ' A' ' 100' ' ' ALA . 22.5 ttp -80.82 99.83 8.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 111.031 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.953 ' HB3' HD11 ' A' ' 97' ' ' LEU . 26.6 mt-10 -97.96 135.75 39.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' HIS . . . . . 0.964 ' CD2' HG21 ' A' ' 21' ' ' ILE . 71.7 t60 -128.51 114.98 17.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.591 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.448 ' HG3' HD13 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -90.11 121.78 32.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.526 ' HB3' HD22 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -93.71 149.47 21.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.326 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.474 ' O ' ' N ' ' A' ' 27' ' ' LEU . 4.7 ptm180 -129.36 149.07 51.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 110.248 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 12.3 t -88.09 156.37 19.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 108.345 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.63 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.549 HG22 ' HE3' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -124.71 138.45 54.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.559 ' CD2' ' ND1' ' A' ' 129' ' ' HIS . 3.2 t80 -75.15 96.06 3.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.549 ' HE3' HG22 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -52.2 97.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -88.2 157.62 28.27 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.414 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.4 Cg_endo -74.98 -17.53 19.52 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.54 1.811 . . . . 0.0 111.068 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.628 ' HA ' HG23 ' A' ' 47' ' ' THR . 0.3 OUTLIER -128.05 -76.6 0.56 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.652 HD23 ' CG1' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -102.55 127.59 49.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.477 ' O ' ' HA ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -79.65 126.28 30.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.6 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.887 HG21 ' CD2' ' A' ' 129' ' ' HIS . 1.5 mm -95.51 137.36 23.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.474 ' HA ' ' C ' ' A' ' 23' ' ' PRO . 0.3 OUTLIER -146.89 130.71 8.38 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.03 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.515 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 18.4 Cg_endo -75.0 -164.38 3.58 Favored 'Cis proline' 0 C--N 1.36 1.134 0 C-N-CA 121.006 -2.497 . . . . 0.0 111.03 -0.029 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.08 -106.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -110.01 65.37 0.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.323 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.515 ' O ' ' HG2' ' A' ' 23' ' ' PRO . 10.9 pt-20 -163.04 147.29 11.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.319 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.702 HD22 HG21 ' A' ' 39' ' ' THR . 14.5 mt -149.09 133.78 17.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -131.43 101.98 5.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.148 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.682 ' CE1' HG21 ' A' ' 90' ' ' VAL . 19.5 m-85 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.1 mttt . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.602 ' HD2' HG23 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -142.88 141.89 31.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.702 HG21 HD22 ' A' ' 27' ' ' LEU . 7.8 t -106.09 162.46 13.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.4 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.506 ' CD1' ' C ' ' A' ' 80' ' ' ILE . 0.7 OUTLIER -131.86 116.92 17.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.883 HD13 HD11 ' A' ' 98' ' ' ILE . 21.9 mt -90.81 139.35 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 t -114.53 133.92 59.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.863 ' HB2' HG22 ' A' ' 78' ' ' ILE . 58.6 mt -118.57 104.53 10.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.417 ' C ' HD13 ' A' ' 19' ' ' LEU . 1.2 m -94.66 104.28 16.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.377 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.586 ' OD1' HD22 ' A' ' 19' ' ' LEU . 19.5 t-20 -75.89 106.91 7.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.622 HG22 ' O ' ' A' ' 18' ' ' LEU . 12.5 m -85.09 -38.39 13.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.628 HG23 ' HA ' ' A' ' 18' ' ' LEU . 1.7 p -49.56 155.11 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.414 1.071 . . . . 0.0 110.432 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.28 28.83 3.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.668 ' O ' HG23 ' A' ' 51' ' ' VAL . 6.6 m-80 -149.93 139.62 21.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 103' ' ' MET . 12.3 mt -39.27 140.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.791 HG22 ' HA ' ' A' ' 102' ' ' GLU . 58.4 t -134.54 117.61 24.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.28 133.58 35.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.731 ' CE2' HD13 ' A' ' 78' ' ' ILE . 31.8 p90 -123.99 161.6 25.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.956 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.517 ' HB2' ' HE2' ' A' ' 99' ' ' MET . 0.3 OUTLIER -154.08 148.35 25.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.333 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.801 HG21 HG21 ' A' ' 80' ' ' ILE . 80.5 t -122.13 114.3 42.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -121.27 144.8 48.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.171 . . . . 0.0 110.277 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.9 t -137.28 168.3 19.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.392 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 18.9 p -79.38 3.15 19.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 110.432 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.765 ' HB1' ' HB2' ' A' ' 62' ' ' LYS . . . -150.84 76.61 8.02 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -28.21 9.46 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.476 1.777 . . . . 0.0 111.044 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -88.99 8.93 27.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.258 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.765 ' HB2' ' HB1' ' A' ' 59' ' ' ALA . 14.6 mttm -119.48 -46.15 2.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.112 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.712 ' CE2' ' HB3' ' A' ' 59' ' ' ALA . 44.1 m-85 -105.04 117.2 33.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 111.001 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.78 106.35 11.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.288 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.71 HG11 ' CG1' ' A' ' 55' ' ' VAL . 6.1 t -104.38 131.23 53.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.474 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.0 OUTLIER -162.98 129.12 2.31 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.657 ' HD2' HD13 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -75.03 141.53 72.03 Favored 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 120.998 -2.501 . . . . 0.0 110.982 0.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 87.5 p -113.58 24.76 11.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 110.018 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 62.1 t-20 179.8 109.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.9 -163.65 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.488 1.118 . . . . 0.0 110.031 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.504 ' HG ' ' C ' ' A' ' 51' ' ' VAL . 3.7 t -136.93 167.99 20.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 0.0 110.03 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.443 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 51.7 t -129.41 122.85 30.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 108.307 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -55.66 161.26 3.32 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 134.71 18.14 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.495 1.787 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.67 38.13 51.16 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -143.66 179.95 6.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 0.746 . . . . 0.0 109.303 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 2.3 p -140.84 135.01 30.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.043 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.863 HG22 ' HB2' ' A' ' 43' ' ' LEU . 1.1 tt -105.21 172.27 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.405 ' O ' ' HD2' ' A' ' 67' ' ' PRO . 5.5 m-20 -131.73 125.28 31.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.801 HG21 HG21 ' A' ' 55' ' ' VAL . 4.0 mm -120.56 107.75 21.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.602 HG23 ' HD2' ' A' ' 38' ' ' LYS . 2.0 mp -79.42 143.93 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.611 HG11 ' CZ ' ' A' ' 96' ' ' PHE . 53.9 t -134.47 97.68 2.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.1 t -119.3 135.87 24.21 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.995 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -176.53 2.93 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.495 1.787 . . . . 0.0 110.974 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.579 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.415 ' OG1' ' N ' ' A' ' 90' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.419 -0.215 . . . . 0.0 110.419 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.682 HG21 ' CE1' ' A' ' 29' ' ' PHE . 2.4 p -139.65 84.44 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.02 -162.6 0.62 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.972 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -98.8 27.15 5.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -108.69 -26.68 10.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.591 ' CG ' ' CE2' ' A' ' 63' ' ' TYR . 1.6 t0 -85.6 128.42 34.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.68 142.04 46.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.293 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.611 ' CZ ' HG11 ' A' ' 82' ' ' VAL . 39.2 m-85 -108.18 154.74 21.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.712 HD13 ' N ' ' A' ' 98' ' ' ILE . 2.9 tm? -138.15 144.99 41.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.883 HD11 HD13 ' A' ' 41' ' ' ILE . 4.7 mt -136.74 131.84 47.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.517 ' HE2' ' HB2' ' A' ' 54' ' ' LYS . 3.3 mtp -110.03 152.2 26.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.941 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.515 ' C ' HG23 ' A' ' 126' ' ' VAL . . . -159.45 117.0 2.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.799 ' HB2' ' HB ' ' A' ' 126' ' ' VAL . . . -127.44 135.97 51.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.791 ' HA ' HG22 ' A' ' 51' ' ' VAL . 1.1 tt0 -69.44 117.27 10.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.281 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.577 ' HG2' ' CE1' ' A' ' 117' ' ' PHE . 0.0 OUTLIER -97.8 172.34 7.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.958 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -64.71 -141.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.252 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.422 ' HG3' ' N ' ' A' ' 106' ' ' SER . 19.3 pt20 -111.58 -44.2 3.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.298 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.422 ' N ' ' HG3' ' A' ' 105' ' ' GLN . 0.5 OUTLIER -90.58 120.68 31.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.011 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.533 ' HB2' ' HE1' ' A' ' 103' ' ' MET . 0.0 OUTLIER -171.97 136.81 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.989 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -86.67 -5.63 81.35 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.512 1.132 . . . . 0.0 111.022 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.537 ' HA ' ' CD2' ' A' ' 114' ' ' LEU . 38.2 p 46.2 30.77 1.04 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 0.737 . . . . 0.0 110.396 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.911 ' O ' HD23 ' A' ' 114' ' ' LEU . . . -82.75 -167.17 40.38 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.514 1.134 . . . . 0.0 111.029 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -20.14 17.14 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.52 1.8 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -93.48 -64.27 1.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 112' ' ' ALA . 3.2 mm-40 -38.41 -49.61 1.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.316 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.911 HD23 ' O ' ' A' ' 110' ' ' GLY . 2.5 mm? -53.52 -70.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 114' ' ' LEU . 0.3 OUTLIER -38.76 -43.88 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.008 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -56.87 -62.39 1.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 110.276 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.877 ' O ' HG12 ' A' ' 121' ' ' VAL . 23.1 t80 -56.58 -37.47 70.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 111.028 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' TRP . . . . . 0.791 ' CZ3' HG21 ' A' ' 126' ' ' VAL . 87.9 m95 -72.03 -12.31 61.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 108.027 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.21 -23.62 17.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -98.61 -42.96 7.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.877 HG12 ' O ' ' A' ' 117' ' ' PHE . 9.7 p -69.38 124.18 89.93 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.563 ' HG2' ' CG ' ' A' ' 125' ' ' LYS . 18.4 Cg_endo -74.96 166.57 28.94 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.508 1.794 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.515 ' C ' ' CD ' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -79.26 -1.19 35.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ASN . . . . . 0.505 ' N ' ' HD2' ' A' ' 123' ' ' ARG . 0.6 OUTLIER -102.77 -3.49 26.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.563 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 34.8 mmtt -109.25 -28.15 9.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.799 ' HB ' ' HB2' ' A' ' 101' ' ' ALA . 4.4 p -90.61 140.26 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' MET . . . . . 0.47 ' HG2' ' N ' ' A' ' 128' ' ' GLU . 63.1 ttp -79.73 155.49 27.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.47 ' N ' ' HG2' ' A' ' 127' ' ' MET . 50.2 mt-10 -135.18 121.38 20.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.281 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' HIS . . . . . 0.887 ' CD2' HG21 ' A' ' 21' ' ' ILE . 73.0 t60 -122.88 124.46 43.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.602 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.559 ' HD2' HD23 ' A' ' 97' ' ' LEU . 1.0 OUTLIER -101.44 121.62 42.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.622 HD22 ' CD2' ' A' ' 129' ' ' HIS . 0.2 OUTLIER -92.53 145.15 24.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.235 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -117.17 150.26 39.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 3.9 m -88.38 132.65 34.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 108.264 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.541 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.1 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.886 HG22 ' OG ' ' A' ' 22' ' ' SER . 52.9 t -127.48 125.55 65.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.413 ' O ' ' N ' ' A' ' 16' ' ' GLY . 59.7 t80 -73.73 95.25 2.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 110.936 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.612 ' CG ' ' CE1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -65.43 79.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.616 ' N ' ' CD2' ' A' ' 20' ' ' HIS . . . -61.56 161.44 26.92 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.486 1.116 . . . . 0.0 110.965 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -18.2 18.88 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.515 1.797 . . . . 0.0 111.024 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.488 ' O ' HG23 ' A' ' 47' ' ' THR . 3.1 mt -128.37 -69.05 0.74 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.492 HD22 ' HA ' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -107.51 125.36 51.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.132 . . . . 0.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.616 ' CD2' ' N ' ' A' ' 16' ' ' GLY . 13.4 m170 -85.8 123.89 31.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.607 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.51 ' O ' HG13 ' A' ' 13' ' ' VAL . 28.6 mt -95.86 160.5 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.886 ' OG ' HG22 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -157.67 128.81 3.72 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.015 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.431 ' C ' ' HA ' ' A' ' 22' ' ' SER . 18.2 Cg_endo -75.0 -164.04 3.42 Favored 'Cis proline' 0 C--N 1.36 1.176 0 C-N-CA 120.965 -2.515 . . . . 0.0 111.049 -0.049 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.38 -91.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.548 ' HA ' HD23 ' A' ' 131' ' ' LEU . 27.1 mt-10 -132.71 62.85 1.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.345 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.412 ' O ' ' HG2' ' A' ' 23' ' ' PRO . 0.0 OUTLIER -162.07 102.85 1.13 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 110.316 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 1.026 ' HG ' HG21 ' A' ' 39' ' ' THR . 1.6 tp -99.43 119.62 38.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.572 ' CE1' ' HB3' ' A' ' 134' ' ' HIS . 1.7 m-85 -109.04 98.79 8.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.59 ' CZ ' HD23 ' A' ' 27' ' ' LEU . 88.7 m-85 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.978 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.7 mttt . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.423 ' C ' ' CD ' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -123.98 151.14 44.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . 1.026 HG21 ' HG ' ' A' ' 27' ' ' LEU . 2.3 t -116.43 159.95 21.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.408 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.752 HD11 ' HB2' ' A' ' 79' ' ' ASP . 2.2 tp -133.07 118.1 18.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.74 HG23 ' O ' ' A' ' 22' ' ' SER . 33.7 mt -89.7 144.01 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 t -113.66 139.99 36.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.861 ' HB2' HG22 ' A' ' 78' ' ' ILE . 41.3 mt -124.91 105.11 8.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.367 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.0 m -90.39 98.81 11.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.442 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.492 ' HA ' HD22 ' A' ' 19' ' ' LEU . 25.3 t-20 -45.66 101.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.909 ' O ' HG12 ' A' ' 46' ' ' VAL . 1.6 t -103.49 67.23 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.088 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.518 ' CG2' ' O ' ' A' ' 46' ' ' VAL . 25.4 p -157.77 174.75 14.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.385 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.402 ' O ' ' CG ' ' A' ' 49' ' ' ASN . 0.0 OUTLIER -104.97 20.7 18.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.243 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.472 ' O ' HG23 ' A' ' 51' ' ' VAL . 7.3 m120 -163.45 155.42 17.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.429 1.081 . . . . 0.0 109.341 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.405 HG22 ' SD ' ' A' ' 103' ' ' MET . 17.9 mt -43.09 147.42 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.496 ' CG2' ' OG1' ' A' ' 47' ' ' THR . 71.2 t -134.27 120.6 34.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.42 ' HA ' ' CB ' ' A' ' 71' ' ' SER . . . -88.29 123.05 32.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.531 ' CE1' HD13 ' A' ' 78' ' ' ILE . 47.1 p90 -117.01 164.4 14.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 111.027 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.643 ' HB2' ' HE2' ' A' ' 99' ' ' MET . 22.7 mttt -151.98 147.04 26.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 1.13 HG21 HG21 ' A' ' 80' ' ' ILE . 88.4 t -114.4 122.11 67.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.471 ' HB2' HD12 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -123.03 173.8 7.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -172.36 161.5 5.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.398 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 25.5 p -77.92 1.63 19.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.389 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.837 ' HB1' ' HD3' ' A' ' 62' ' ' LYS . . . -154.47 74.75 5.9 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.25 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -4.0 14.75 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.491 1.785 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -105.4 19.62 20.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 110.266 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.837 ' HD3' ' HB1' ' A' ' 59' ' ' ALA . 1.8 mtpm? -131.92 -45.11 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.596 ' CE2' ' OD2' ' A' ' 94' ' ' ASP . 68.9 m-85 -101.41 125.2 48.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -87.78 96.47 10.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.108 . . . . 0.0 110.317 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.486 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 0.7 OUTLIER -96.78 116.64 39.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.415 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.0 OUTLIER -148.27 125.41 5.59 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.752 ' O ' HG23 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -75.0 159.22 98.34 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 121.027 -2.489 . . . . 0.0 110.994 0.035 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.462 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 73.8 p -113.96 -30.75 6.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.002 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 -133.42 100.69 4.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -162.94 -178.23 5.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.972 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.42 ' CB ' ' HA ' ' A' ' 52' ' ' ALA . 66.6 p -137.09 152.94 50.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.989 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.444 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 41.0 t -118.77 143.16 47.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 108.32 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.466 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 0.7 OUTLIER -77.08 168.95 23.8 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.467 ' HA ' ' OD1' ' A' ' 45' ' ' ASN . 18.2 Cg_endo -74.97 124.75 8.87 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.56 1.821 . . . . 0.0 110.983 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 85.1 38.16 9.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.463 1.102 . . . . 0.0 110.988 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -143.57 169.55 17.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 0.777 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.415 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 2.1 p -135.03 134.65 40.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.988 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.861 HG22 ' HB2' ' A' ' 43' ' ' LEU . 0.7 OUTLIER -105.62 171.39 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.752 ' HB2' HD11 ' A' ' 40' ' ' LEU . 3.3 p-10 -132.13 121.96 24.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 1.13 HG21 HG21 ' A' ' 55' ' ' VAL . 4.7 mm -115.3 96.66 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.41 ' N ' HD13 ' A' ' 40' ' ' LEU . 3.6 mp -73.84 122.44 26.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.486 ' HB ' HG22 ' A' ' 39' ' ' THR . 60.8 t -113.21 99.8 9.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.416 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 3.1 p -117.63 133.38 23.3 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.999 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 83' ' ' SER . 18.3 Cg_endo -74.97 176.35 10.02 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.481 1.78 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.616 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.404 ' OG1' ' N ' ' A' ' 90' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.42 HG11 ' CG ' ' A' ' 29' ' ' PHE . 2.3 p -91.17 132.32 35.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.3 t -128.65 175.47 8.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.005 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -90.73 39.18 0.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -112.68 -26.9 8.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.596 ' OD2' ' CE2' ' A' ' 63' ' ' TYR . 0.5 OUTLIER -97.32 172.49 7.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.355 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.43 ' HG3' ' N ' ' A' ' 96' ' ' PHE . 4.7 tpp180 -149.77 143.45 25.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.476 ' CZ ' ' CG1' ' A' ' 82' ' ' VAL . 28.8 m-85 -105.5 154.48 20.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.964 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.719 HD13 ' N ' ' A' ' 98' ' ' ILE . 2.0 tm? -137.68 139.97 40.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.719 ' N ' HD13 ' A' ' 97' ' ' LEU . 2.7 mt -127.97 132.52 68.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.643 ' HE2' ' HB2' ' A' ' 54' ' ' LYS . 13.2 mtp -110.5 155.74 21.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.452 ' HB1' ' HB2' ' A' ' 19' ' ' LEU . . . -162.62 117.34 1.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.84 ' HB2' HG23 ' A' ' 126' ' ' VAL . . . -129.73 133.64 47.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.34 129.0 38.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.532 ' CG ' ' CZ ' ' A' ' 117' ' ' PHE . 10.0 mtp -97.04 171.77 8.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -74.97 -170.87 1.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -49.06 -95.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.285 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.02 107.34 19.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.008 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 16.5 m -127.97 125.87 40.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.408 1.067 . . . . 0.0 110.031 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -60.88 130.0 47.29 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.504 1.127 . . . . 0.0 111.024 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 61.6 p -98.47 55.84 1.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 0.75 . . . . 0.0 110.43 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -110.25 -175.49 20.74 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.536 1.148 . . . . 0.0 111.01 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -15.79 20.51 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.515 1.797 . . . . 0.0 110.981 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -92.11 -70.49 0.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 112' ' ' ALA . 2.7 mm-40 -37.0 -46.89 0.68 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 95.9 mt -61.82 -66.01 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.9 t -38.1 -39.0 0.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.045 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -74.65 -53.17 9.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.302 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.811 ' O ' HG12 ' A' ' 121' ' ' VAL . 91.9 t80 -58.67 -27.35 64.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' TRP . . . . . 0.906 ' CZ3' HG21 ' A' ' 126' ' ' VAL . 58.2 m95 -82.85 -14.4 54.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 107.992 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.422 ' C ' ' HD3' ' A' ' 119' ' ' LYS . 0.0 OUTLIER -94.69 -20.35 19.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -96.51 -43.78 7.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.811 HG12 ' O ' ' A' ' 117' ' ' PHE . 9.2 p -70.14 120.18 76.5 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.128 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.662 ' O ' HG12 ' A' ' 126' ' ' VAL . 18.2 Cg_endo -75.05 178.9 6.66 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.487 1.783 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.562 ' HA ' HG12 ' A' ' 126' ' ' VAL . 0.0 OUTLIER -84.98 0.92 49.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 110.327 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -101.2 -14.96 17.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.511 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 25.4 mmtt -102.62 -27.69 12.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.906 HG21 ' CZ3' ' A' ' 118' ' ' TRP . 14.2 p -94.21 137.53 22.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 109.342 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' MET . . . . . 0.462 ' SD ' ' N ' ' A' ' 128' ' ' GLU . 18.5 tmm? -80.69 151.57 28.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.462 ' N ' ' SD ' ' A' ' 127' ' ' MET . 58.4 mt-10 -138.13 128.37 25.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' HIS . . . . . 0.503 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 73.3 t60 -136.21 125.75 25.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.61 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.429 ' HA ' ' O ' ' A' ' 96' ' ' PHE . 0.9 OUTLIER -97.41 123.39 41.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.277 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.716 HD22 HD13 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -95.35 150.3 20.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.497 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -124.9 146.67 49.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.333 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 20.0 p -86.49 143.33 27.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 108.322 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' HIS . . . . . 0.572 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.569 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.9 p . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.762 HG22 ' OG ' ' A' ' 22' ' ' SER . 67.2 t -140.04 123.24 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.679 ' CD2' ' ND1' ' A' ' 129' ' ' HIS . 18.5 t80 -73.51 95.13 2.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.683 ' HD3' ' CD2' ' A' ' 20' ' ' HIS . 18.0 mmtp -60.35 99.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -85.76 157.63 31.32 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.536 1.147 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.41 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.4 Cg_endo -74.94 -17.2 19.9 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.503 1.791 . . . . 0.0 111.02 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.612 ' O ' HG22 ' A' ' 46' ' ' VAL . 1.2 mt -123.95 -75.91 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.922 ' CB ' HG11 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -108.99 126.47 53.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.232 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.82 ' N ' HD22 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -78.6 119.0 21.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.603 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.691 HD13 ' CG2' ' A' ' 98' ' ' ILE . 40.5 mt -96.02 150.76 4.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.808 ' O ' HG23 ' A' ' 41' ' ' ILE . 2.5 m -147.97 141.71 15.84 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.982 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 22' ' ' SER . 18.4 Cg_endo -74.97 -161.96 2.64 Favored 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 121.042 -2.483 . . . . 0.0 111.002 0.033 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.448 ' O ' ' NE2' ' A' ' 129' ' ' HIS . . . -81.06 -89.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -129.21 55.63 1.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.291 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.429 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 8.6 pt-20 -163.44 104.38 0.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.268 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.681 ' HG ' HD12 ' A' ' 131' ' ' LEU . 7.8 mt -103.21 128.48 50.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -125.31 112.72 16.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 110.982 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 111.033 179.956 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.7 mttp . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.443 ' CD ' HG23 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -130.57 145.71 51.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.634 ' OG1' HD22 ' A' ' 27' ' ' LEU . 10.2 t -104.91 158.17 16.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.357 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.505 ' CD1' ' C ' ' A' ' 80' ' ' ILE . 0.5 OUTLIER -132.48 118.31 19.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.348 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.985 HD13 HD11 ' A' ' 98' ' ' ILE . 16.6 mt -90.7 137.38 21.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.1 t -114.48 127.6 71.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.866 ' HB2' HG22 ' A' ' 78' ' ' ILE . 32.5 mt -110.97 104.51 13.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.427 ' N ' ' O ' ' A' ' 20' ' ' HIS . 1.0 OUTLIER -93.42 105.73 17.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 110.402 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.423 ' CG ' ' HA ' ' A' ' 74' ' ' PRO . 54.3 t-20 -76.33 105.23 7.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.612 HG22 ' O ' ' A' ' 18' ' ' LEU . 14.1 m -86.78 -39.77 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.607 HG23 ' HA ' ' A' ' 18' ' ' LEU . 1.5 p -50.51 162.82 0.21 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.402 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -89.69 24.64 2.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.42 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 36.2 m-80 -150.14 168.21 24.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.45 ' CG2' ' HB2' ' A' ' 71' ' ' SER . 52.3 mt -65.76 159.47 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.922 HG11 ' CB ' ' A' ' 19' ' ' LEU . 95.6 t -135.57 105.34 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.545 ' HB3' ' CE2' ' A' ' 117' ' ' PHE . . . -67.08 102.86 1.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.882 ' CE2' HD13 ' A' ' 78' ' ' ILE . 37.8 p90 -96.62 159.84 14.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.57 ' HE3' ' CD1' ' A' ' 118' ' ' TRP . 13.2 mttt -158.7 131.94 7.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.955 HG21 HG21 ' A' ' 80' ' ' ILE . 36.9 t -100.67 121.62 51.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.602 ' HB3' HD12 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -126.34 144.01 50.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.75 158.24 44.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.385 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 45.4 p -73.95 -8.04 54.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 110.352 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.553 ' HB1' ' HD3' ' A' ' 62' ' ' LYS . . . -152.34 74.14 7.46 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 0.31 9.04 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.544 1.813 . . . . 0.0 111.041 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -94.2 48.75 1.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.316 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.553 ' HD3' ' HB1' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -173.51 -38.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 0.0 109.315 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.527 ' CZ ' ' HE3' ' A' ' 62' ' ' LYS . 52.2 m-85 -100.79 115.0 29.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -84.29 94.25 8.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 110.305 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.917 HG13 HG22 ' A' ' 82' ' ' VAL . 2.1 t -91.35 132.09 36.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.511 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.3 OUTLIER -163.44 132.99 3.09 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.778 ' HD2' HD13 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -75.03 142.89 76.07 Favored 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 120.991 -2.504 . . . . 0.0 111.018 0.064 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.6 p -112.73 28.26 8.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.975 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.404 ' O ' ' HB2' ' A' ' 70' ' ' SER . 6.5 p30 -179.82 106.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.604 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 31.2 t 175.44 -170.24 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.009 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.611 ' CB ' HG22 ' A' ' 109' ' ' THR . 0.5 OUTLIER -138.76 135.44 34.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.986 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 49.2 t -91.05 128.69 36.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 108.309 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -69.46 160.41 79.43 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.423 ' HA ' ' CG ' ' A' ' 45' ' ' ASN . 18.2 Cg_endo -74.98 143.27 28.93 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.475 1.776 . . . . 0.0 110.956 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.99 25.36 75.69 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -142.23 178.99 7.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 109.264 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.422 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 3.4 p -140.63 140.42 35.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.978 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.882 HD13 ' CE2' ' A' ' 53' ' ' PHE . 1.0 OUTLIER -104.57 172.06 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -132.06 123.96 28.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.955 HG21 HG21 ' A' ' 55' ' ' VAL . 2.0 mm -121.38 109.83 26.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.466 HD12 ' CD1' ' A' ' 40' ' ' LEU . 2.0 mp -83.55 146.82 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.917 HG22 HG13 ' A' ' 65' ' ' VAL . 36.2 t -139.91 97.73 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.43 128.11 26.23 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.992 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.522 ' HG3' HG12 ' A' ' 90' ' ' VAL . 18.4 Cg_endo -74.96 168.32 25.11 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.527 1.804 . . . . 0.0 111.036 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.409 ' N ' ' O ' ' A' ' 62' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.615 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 37.8 p . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.522 HG12 ' HG3' ' A' ' 84' ' ' PRO . 1.2 m -97.13 6.19 8.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.4 m 44.91 -164.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.019 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -128.04 -45.02 1.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -66.55 -14.3 62.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.425 ' OD1' ' CE2' ' A' ' 63' ' ' TYR . 0.9 OUTLIER -64.48 102.13 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.4 tpp85 -99.29 143.19 29.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.579 ' CZ ' HG11 ' A' ' 82' ' ' VAL . 22.1 m-85 -111.04 152.66 26.62 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.906 HD22 ' O ' ' A' ' 129' ' ' HIS . 2.1 tm? -135.4 144.05 46.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.985 HD11 HD13 ' A' ' 41' ' ' ILE . 5.6 mt -136.89 123.5 29.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.127 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.61 ' HE2' ' CZ3' ' A' ' 118' ' ' TRP . 3.4 mtp -97.06 157.67 15.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.624 ' HB3' ' CE ' ' A' ' 127' ' ' MET . . . -162.32 118.14 1.94 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.676 ' HB1' HG21 ' A' ' 121' ' ' VAL . . . -129.65 135.99 49.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.93 115.46 8.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.588 ' HG2' ' CZ ' ' A' ' 117' ' ' PHE . 0.0 OUTLIER -91.07 172.39 8.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.994 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.36 -145.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.333 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -107.2 -36.77 6.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.47 108.67 21.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.016 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.402 ' HA ' ' OE1' ' A' ' 113' ' ' GLU . 55.5 m -152.17 152.7 32.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.984 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -108.74 -3.98 32.07 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.131 . . . . 0.0 110.967 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.79 ' HA ' HD21 ' A' ' 114' ' ' LEU . 64.5 p 45.7 34.63 1.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 0.756 . . . . 0.0 110.366 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.983 ' O ' HD23 ' A' ' 114' ' ' LEU . . . -84.47 -169.14 45.25 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -25.33 12.04 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.52 1.8 . . . . 0.0 111.011 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.482 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -92.21 -63.05 1.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.482 ' C ' ' O ' ' A' ' 112' ' ' ALA . 3.3 mm-40 -32.33 -40.87 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.308 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.983 HD23 ' O ' ' A' ' 110' ' ' GLY . 3.6 mm? -71.38 -69.76 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.343 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 114' ' ' LEU . 0.2 OUTLIER -35.73 -33.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.018 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 114' ' ' LEU . 5.3 mm-40 -74.85 -58.55 3.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.891 ' O ' HG12 ' A' ' 121' ' ' VAL . 53.1 t80 -55.44 -32.4 62.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 111.029 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' TRP . . . . . 0.948 ' CZ3' HG21 ' A' ' 126' ' ' VAL . 79.2 m95 -74.79 -16.31 60.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 107.993 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.65 -22.41 21.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.464 ' CG ' ' N ' ' A' ' 121' ' ' VAL . 0.5 OUTLIER -98.34 -45.07 6.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 110.297 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.891 HG12 ' O ' ' A' ' 117' ' ' PHE . 9.6 p -72.26 120.53 80.91 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.43 1.081 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.653 ' O ' HG12 ' A' ' 126' ' ' VAL . 18.2 Cg_endo -75.05 168.54 24.58 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.431 1.753 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.532 ' C ' ' CD ' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -78.36 1.71 21.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 110.296 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ASN . . . . . 0.483 ' N ' ' HD2' ' A' ' 123' ' ' ARG . 1.1 t-20 -102.48 -10.15 19.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.528 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 32.8 mmtt -106.65 -26.78 11.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.948 HG21 ' CZ3' ' A' ' 118' ' ' TRP . 7.4 p -92.22 136.69 23.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' MET . . . . . 0.624 ' CE ' ' HB3' ' A' ' 100' ' ' ALA . 35.8 ttp -79.98 143.16 34.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 111.043 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -123.6 116.72 23.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' HIS . . . . . 0.906 ' O ' HD22 ' A' ' 97' ' ' LEU . 79.2 t60 -115.32 140.11 49.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 109.596 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.682 ' HD2' HD23 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -116.84 122.28 43.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 110.265 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.681 HD12 ' HG ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -93.37 146.52 23.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 5.7 ptp180 -128.45 137.96 52.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 20.1 p -73.65 155.03 39.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 108.274 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 1.8 t60 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.568 179.977 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.609 HG22 ' HE3' ' A' ' 15' ' ' LYS . 0.8 OUTLIER -122.87 141.36 43.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -80.26 95.79 6.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.609 ' HE3' HG22 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -53.04 98.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.65 157.36 28.68 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.545 1.153 . . . . 0.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.416 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.6 Cg_endo -74.95 -18.89 18.48 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.496 1.787 . . . . 0.0 111.031 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.538 ' HA ' HG23 ' A' ' 47' ' ' THR . 3.9 mt -123.52 -76.41 0.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.691 ' HB2' HG11 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -108.65 132.7 53.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.363 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.767 ' CE1' HG11 ' A' ' 46' ' ' VAL . 0.3 OUTLIER -78.42 157.65 28.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.64 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.979 HG21 ' CD2' ' A' ' 129' ' ' HIS . 3.6 mm -125.79 146.12 32.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.42 ' HA ' ' C ' ' A' ' 23' ' ' PRO . 1.5 t -158.08 127.37 3.15 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.938 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.42 ' C ' ' HA ' ' A' ' 22' ' ' SER . 18.2 Cg_endo -75.04 -172.8 11.28 Favored 'Cis proline' 0 C--N 1.361 1.194 0 C-N-CA 121.008 -2.497 . . . . 0.0 110.981 0.001 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.41 -96.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.522 ' O ' ' CG ' ' A' ' 132' ' ' ARG . 0.7 OUTLIER -122.38 54.19 1.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.291 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.444 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 0.9 OUTLIER -163.82 103.28 0.9 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.322 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.705 HD22 ' OG1' ' A' ' 39' ' ' THR . 10.7 mt -97.63 137.45 36.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 0.0 109.256 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -130.0 91.95 3.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.645 ' CG ' HG11 ' A' ' 90' ' ' VAL . 25.1 m-85 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.122 . . . . 0.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.45 ' HD2' ' CG2' ' A' ' 81' ' ' ILE . 30.6 pttt -108.1 148.16 30.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.705 ' OG1' HD22 ' A' ' 27' ' ' LEU . 8.9 t -96.55 145.24 25.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.411 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.577 HD12 ' N ' ' A' ' 41' ' ' ILE . 0.7 OUTLIER -118.98 120.2 36.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.242 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.889 HD13 HD11 ' A' ' 98' ' ' ILE . 15.3 mt -91.16 127.51 43.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.45 HG13 ' OD1' ' A' ' 79' ' ' ASP . 2.0 t -106.54 141.8 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.73 HD12 ' CG2' ' A' ' 78' ' ' ILE . 2.4 mt -133.66 110.88 10.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.9 m -97.81 106.79 19.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.452 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.428 ' OD1' ' OG1' ' A' ' 47' ' ' THR . 52.5 t30 -72.73 100.66 2.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.767 HG11 ' CE1' ' A' ' 20' ' ' HIS . 12.4 m -75.28 -38.89 41.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.564 1.165 . . . . 0.0 109.344 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.538 HG23 ' HA ' ' A' ' 18' ' ' LEU . 2.6 p -53.89 153.18 4.93 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.49 1.119 . . . . 0.0 110.406 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.85 22.84 3.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.445 ' HB2' ' CD ' ' A' ' 102' ' ' GLU . 76.3 m-20 -137.18 159.55 41.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 27.4 mt -59.96 145.43 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.691 HG11 ' HB2' ' A' ' 19' ' ' LEU . 75.9 t -136.79 118.6 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.446 ' HB3' ' HE2' ' A' ' 117' ' ' PHE . . . -88.47 120.6 30.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.805 ' HE2' HD13 ' A' ' 78' ' ' ILE . 20.9 p90 -115.3 156.85 24.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.15 . . . . 0.0 111.036 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.581 ' HG3' ' CZ2' ' A' ' 118' ' ' TRP . 8.2 mttm -144.57 119.53 9.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.256 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.463 HG12 HG11 ' A' ' 65' ' ' VAL . 21.5 t -97.8 119.63 46.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.408 ' HD3' HD12 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -127.38 172.08 10.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.577 HG23 ' H ' ' A' ' 59' ' ' ALA . 6.5 t -153.71 170.73 20.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 110.42 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.0 p -87.25 18.73 3.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.402 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.839 ' HB1' ' HD3' ' A' ' 62' ' ' LYS . . . -170.88 72.98 0.55 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -12.94 21.47 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.478 1.778 . . . . 0.0 111.007 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -91.72 18.81 7.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.282 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.839 ' HD3' ' HB1' ' A' ' 59' ' ' ALA . 1.0 OUTLIER -137.12 -47.75 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.103 . . . . 0.0 109.341 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -102.35 119.67 39.21 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.84 103.17 8.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 110.255 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.593 HG13 HG22 ' A' ' 82' ' ' VAL . 2.9 t -100.2 124.44 53.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.52 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -163.67 133.9 3.28 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 109.308 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.52 ' C ' ' HA ' ' A' ' 66' ' ' LYS . 18.3 Cg_endo -74.99 133.76 32.89 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 120.967 -2.514 . . . . 0.0 111.016 -0.002 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.423 ' N ' ' HA ' ' A' ' 66' ' ' LYS . 82.9 p -112.57 43.85 1.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.962 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.4 p30 164.89 69.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.409 ' O ' ' O ' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -151.48 -165.0 2.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.988 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.632 ' OG ' HD21 ' A' ' 114' ' ' LEU . 5.5 m -138.82 172.34 13.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.031 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.545 ' HB3' HD21 ' A' ' 19' ' ' LEU . 35.0 t -133.17 116.21 15.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 108.277 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -55.47 162.7 2.19 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 109.285 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 136.52 20.52 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.494 1.786 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.43 16.56 73.43 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -131.15 -178.95 5.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 109.335 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 2.7 p -145.28 136.89 25.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 110.032 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.805 HD13 ' HE2' ' A' ' 53' ' ' PHE . 1.5 tt -106.19 159.87 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.768 ' C ' HD12 ' A' ' 80' ' ' ILE . 32.7 m-20 -131.73 118.2 19.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.263 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.768 HD12 ' C ' ' A' ' 79' ' ' ASP . 1.2 mp -105.4 118.9 53.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.257 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.45 ' CG2' ' HD2' ' A' ' 38' ' ' LYS . 2.0 mp -82.37 145.97 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.621 HG11 ' CZ ' ' A' ' 96' ' ' PHE . 47.0 t -140.53 98.27 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.16 134.91 24.1 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.004 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 167.01 27.97 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.51 1.795 . . . . 0.0 111.008 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.56 ' CD2' ' HA ' ' A' ' 62' ' ' LYS . 1.2 m-70 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.657 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.42 ' OG1' ' N ' ' A' ' 90' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.645 HG11 ' CG ' ' A' ' 29' ' ' PHE . 7.5 p -87.17 128.71 39.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.1 m -127.71 -176.91 3.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.041 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -95.21 37.18 1.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -110.67 -33.06 6.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.335 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.03 154.21 18.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.291 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.449 ' HG3' ' N ' ' A' ' 96' ' ' PHE . 0.0 OUTLIER -127.37 142.21 51.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.315 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.621 ' CZ ' HG11 ' A' ' 82' ' ' VAL . 55.5 m-85 -105.48 153.98 20.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.805 HD23 ' HD2' ' A' ' 130' ' ' ARG . 2.4 tm? -134.39 145.56 49.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.889 HD11 HD13 ' A' ' 41' ' ' ILE . 3.6 mt -136.83 126.88 39.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.305 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.648 ' HE3' ' CH2' ' A' ' 118' ' ' TRP . 16.4 mtm -107.3 155.24 20.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.041 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -162.63 119.08 1.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.742 ' HB2' HG23 ' A' ' 126' ' ' VAL . . . -133.75 136.15 44.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.509 ' OE1' ' N ' ' A' ' 103' ' ' MET . 0.7 OUTLIER -70.83 124.22 23.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.289 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.569 ' HG2' ' CZ ' ' A' ' 117' ' ' PHE . 0.0 OUTLIER -94.71 171.96 8.47 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.134 . . . . 0.0 111.001 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -61.85 -157.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -74.85 -99.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 110.303 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.2 m -87.53 106.54 18.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.987 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.6 m -143.51 132.63 23.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.966 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -65.38 144.97 48.28 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 30.7 p -94.7 28.3 2.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 0.778 . . . . 0.0 110.415 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -71.87 -179.83 33.31 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.453 1.096 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -12.89 21.62 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.492 1.785 . . . . 0.0 111.04 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -91.72 -70.86 0.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.259 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 112' ' ' ALA . 2.9 mm-40 -38.43 -46.47 1.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.334 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.632 HD21 ' OG ' ' A' ' 71' ' ' SER . 82.4 mt -60.55 -62.99 1.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 109.293 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.467 ' O ' ' CG ' ' A' ' 119' ' ' LYS . 0.6 OUTLIER -44.75 -39.95 5.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 110.013 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.526 ' HA ' ' CG ' ' A' ' 119' ' ' LYS . 1.8 mt-30 -68.04 -35.6 78.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.72 ' O ' HG12 ' A' ' 121' ' ' VAL . 20.5 t80 -82.53 -23.93 34.32 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.115 . . . . 0.0 111.034 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' TRP . . . . . 0.885 ' HZ3' HG21 ' A' ' 126' ' ' VAL . 63.3 m95 -85.86 -29.01 24.05 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.526 ' CG ' ' HA ' ' A' ' 116' ' ' GLN . 0.0 OUTLIER -82.5 -16.88 47.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 0.0 109.309 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -100.28 -44.22 6.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.72 HG12 ' O ' ' A' ' 117' ' ' PHE . 7.1 p -69.6 120.04 74.81 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.554 ' O ' HG12 ' A' ' 126' ' ' VAL . 18.3 Cg_endo -74.98 167.22 27.53 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.548 ' HA ' HG12 ' A' ' 126' ' ' VAL . 0.0 OUTLIER -76.97 1.16 18.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.342 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -102.63 -10.03 19.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.527 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 33.3 mmtt -107.01 -29.68 9.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.885 HG21 ' HZ3' ' A' ' 118' ' ' TRP . 8.9 p -87.76 136.48 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' MET . . . . . 0.456 ' O ' ' HA ' ' A' ' 99' ' ' MET . 62.4 ttp -81.11 152.21 27.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.49 ' HB3' HD21 ' A' ' 97' ' ' LEU . 49.8 mt-10 -134.09 131.12 38.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' HIS . . . . . 0.979 ' CD2' HG21 ' A' ' 21' ' ' ILE . 58.1 t60 -132.54 117.13 17.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.613 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.805 ' HD2' HD23 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -96.41 124.2 40.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.567 HD12 ' HG ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -92.74 155.3 17.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.522 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -126.49 144.45 50.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 133' ' ' CYS . . . . . 0.632 ' SG ' HG22 ' A' ' 90' ' ' VAL . 13.2 t -90.2 129.03 36.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 108.269 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.589 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.9 m . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -133.31 145.76 33.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.501 ' CD1' ' CE1' ' A' ' 129' ' ' HIS . 75.4 t80 -73.47 98.02 2.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 111.051 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.596 ' HA ' ' CG ' ' A' ' 20' ' ' HIS . 0.1 OUTLIER -67.85 62.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 14' ' ' PHE . . . -43.83 162.61 0.05 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.538 1.149 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -18.58 18.64 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.471 1.774 . . . . 0.0 110.962 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.756 ' O ' HG22 ' A' ' 46' ' ' VAL . 0.3 OUTLIER -127.8 -63.43 1.02 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.987 HD11 HD22 ' A' ' 43' ' ' LEU . 0.9 OUTLIER -113.95 128.22 56.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.787 ' N ' HD22 ' A' ' 19' ' ' LEU . 1.2 m-70 -85.43 130.56 34.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.57 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.725 HD12 ' HB3' ' A' ' 129' ' ' HIS . 2.3 mt -102.48 147.57 8.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.137 . . . . 0.0 109.364 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.436 ' HA ' ' C ' ' A' ' 23' ' ' PRO . 0.9 OUTLIER -146.69 128.08 7.35 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.001 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.436 ' C ' ' HA ' ' A' ' 22' ' ' SER . 18.2 Cg_endo -74.99 -178.16 22.64 Favored 'Cis proline' 0 C--N 1.36 1.182 0 C-N-CA 120.963 -2.516 . . . . 0.0 110.977 -0.008 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.443 ' O ' ' NE2' ' A' ' 129' ' ' HIS . . . -64.21 -75.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.874 ' HA ' HD23 ' A' ' 131' ' ' LEU . 3.6 pt-20 -146.55 61.07 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.308 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.445 ' CG ' ' C ' ' A' ' 25' ' ' GLU . 8.1 mt-10 -154.2 102.43 2.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 1.092 HD22 HD22 ' A' ' 131' ' ' LEU . 0.2 OUTLIER -104.15 110.42 22.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -96.49 93.42 6.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 111.003 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.565 ' CE2' ' HB3' ' A' ' 27' ' ' LEU . 88.1 m-85 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 111.038 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.4 mttt . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.495 ' HD3' HG23 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -116.69 139.94 49.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 109.316 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.597 HG21 HD12 ' A' ' 27' ' ' LEU . 10.1 t -100.96 157.92 16.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.405 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.7 HD11 ' HB3' ' A' ' 79' ' ' ASP . 3.4 tp -132.08 119.62 21.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.264 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.584 ' N ' HD12 ' A' ' 40' ' ' LEU . 30.6 mt -89.24 161.84 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.449 ' N ' ' CG2' ' A' ' 41' ' ' ILE . 2.1 t -135.6 131.81 51.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.987 HD22 HD11 ' A' ' 19' ' ' LEU . 42.1 mt -112.76 107.08 15.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.3 m -92.32 110.94 22.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.457 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' A' ' 73' ' ' ASP . 33.1 t-20 -76.43 97.87 4.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.756 HG22 ' O ' ' A' ' 18' ' ' LEU . 33.8 m -80.5 -26.8 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.514 HG23 ' HA ' ' A' ' 18' ' ' LEU . 2.0 p -68.92 163.17 25.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.381 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.9 tptt -92.25 29.77 1.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 56.7 m-80 -155.23 157.32 37.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.736 HG22 ' OG ' ' A' ' 71' ' ' SER . 15.4 mt -58.47 146.36 8.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.352 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.936 HG11 ' HB2' ' A' ' 19' ' ' LEU . 73.0 t -120.96 106.11 17.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.787 ' HB3' ' HE2' ' A' ' 117' ' ' PHE . . . -72.57 104.74 3.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.539 ' CZ ' ' HB3' ' A' ' 70' ' ' SER . 43.0 p90 -104.54 162.72 13.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.983 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.56 ' HE3' ' CD1' ' A' ' 118' ' ' TRP . 13.5 mttm -150.86 133.29 15.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.973 HG21 HG21 ' A' ' 80' ' ' ILE . 65.2 t -96.53 123.12 48.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.98 131.72 39.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.255 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.435 HG23 ' H ' ' A' ' 59' ' ' ALA . 4.7 t -128.92 169.51 14.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.403 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 23.9 p -89.55 24.05 2.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.426 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.852 ' HB1' ' HD3' ' A' ' 62' ' ' LYS . . . -173.52 73.99 0.38 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -3.13 13.47 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.507 1.793 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -107.98 22.36 16.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.291 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.852 ' HD3' ' HB1' ' A' ' 59' ' ' ALA . 1.4 mtpm? -137.94 -46.48 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.62 ' CE2' ' CG ' ' A' ' 94' ' ' ASP . 27.2 m-85 -104.05 136.38 43.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -97.53 116.47 29.79 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.452 1.095 . . . . 0.0 110.261 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 0.7 OUTLIER -117.59 116.32 51.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.341 179.929 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.438 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.0 OUTLIER -150.27 126.55 5.16 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.709 ' O ' HG23 ' A' ' 80' ' ' ILE . 18.2 Cg_endo -75.02 157.12 99.8 Favored 'Cis proline' 0 C--N 1.359 1.113 0 C-N-CA 121.013 -2.495 . . . . 0.0 110.976 0.05 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.444 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 54.3 p -113.19 -24.27 9.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.946 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -135.7 97.15 3.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.539 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 5.7 t -162.4 -179.56 7.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.983 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.736 ' OG ' HG22 ' A' ' 50' ' ' ILE . 1.5 t -129.57 154.77 46.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.022 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 44.5 t -115.19 133.72 55.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 108.275 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.532 ' OD2' ' CB ' ' A' ' 76' ' ' ALA . 0.4 OUTLIER -72.27 162.81 71.83 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.427 ' HA ' ' CG ' ' A' ' 45' ' ' ASN . 18.4 Cg_endo -75.02 135.7 19.37 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.501 1.79 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.82 13.96 83.06 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.545 1.153 . . . . 0.0 110.968 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.532 ' CB ' ' OD2' ' A' ' 73' ' ' ASP . . . -123.85 -178.98 4.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 4.0 p -144.43 138.18 27.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.987 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.852 HG22 ' HB2' ' A' ' 43' ' ' LEU . 0.9 OUTLIER -104.44 170.22 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.7 ' HB3' HD11 ' A' ' 40' ' ' LEU . 7.0 m-20 -131.05 122.59 27.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.973 HG21 HG21 ' A' ' 55' ' ' VAL . 5.2 mm -116.71 97.32 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.248 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.495 HG23 ' HD3' ' A' ' 38' ' ' LYS . 3.1 mp -73.84 120.23 22.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.642 ' CG1' ' CZ ' ' A' ' 96' ' ' PHE . 61.8 t -111.62 97.33 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.585 1.178 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.29 126.79 28.2 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 110.014 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.418 ' HA ' ' HA ' ' A' ' 63' ' ' TYR . 18.3 Cg_endo -75.02 179.7 5.84 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.524 1.802 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.402 ' O ' ' O ' ' A' ' 84' ' ' PRO . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.603 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.449 ' OG1' ' N ' ' A' ' 90' ' ' VAL . 2.1 t . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.441 -0.207 . . . . 0.0 110.441 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.451 ' CG2' ' SG ' ' A' ' 133' ' ' CYS . 3.5 m -100.91 -2.12 9.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 90' ' ' VAL . 2.2 m 38.41 -149.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.981 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -135.43 24.35 3.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -111.26 -28.4 8.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.62 ' CG ' ' CE2' ' A' ' 63' ' ' TYR . 0.6 OUTLIER -68.26 147.11 52.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.6 tpp180 -135.06 142.28 46.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.079 . . . . 0.0 110.326 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.642 ' CZ ' ' CG1' ' A' ' 82' ' ' VAL . 20.3 m-85 -109.68 112.8 25.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.689 HD12 ' O ' ' A' ' 129' ' ' HIS . 18.7 tp -100.05 137.87 37.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.753 ' CD1' HD12 ' A' ' 131' ' ' LEU . 3.9 mt -132.39 118.52 35.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.694 ' HE3' ' CH2' ' A' ' 118' ' ' TRP . 30.7 mtm -89.86 161.05 16.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 0.0 111.03 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.584 ' HB3' ' CE ' ' A' ' 127' ' ' MET . . . -163.82 117.27 1.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.67 ' HB2' HG23 ' A' ' 126' ' ' VAL . . . -126.88 133.18 50.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.512 ' HG3' HG21 ' A' ' 47' ' ' THR . 0.9 OUTLIER -69.41 111.18 5.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 110.288 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.587 ' HG2' ' CZ ' ' A' ' 117' ' ' PHE . 0.0 OUTLIER -85.66 171.71 11.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 111.009 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -70.46 -142.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 110.353 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -75.59 -156.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 10.8 m -55.24 110.96 0.76 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.028 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.539 ' O ' HG23 ' A' ' 109' ' ' THR . 0.6 OUTLIER -111.81 157.97 19.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 110.011 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 109' ' ' THR . . . -58.48 -16.36 28.53 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.56 1.163 . . . . 0.0 111.031 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.539 HG23 ' O ' ' A' ' 107' ' ' SER . 40.4 p 36.98 50.99 0.94 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 0.777 . . . . 0.0 110.391 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.458 ' O ' HD12 ' A' ' 114' ' ' LEU . . . -115.48 -169.89 15.94 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.488 1.118 . . . . 0.0 111.021 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -16.37 20.05 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.529 1.805 . . . . 0.0 110.998 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -92.0 -72.88 0.57 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -38.64 -45.03 1.04 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.458 HD12 ' O ' ' A' ' 110' ' ' GLY . 95.1 mt -62.24 -65.02 0.75 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -38.03 -32.59 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 110.065 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.422 ' N ' ' C ' ' A' ' 114' ' ' LEU . 5.0 mm-40 -76.86 -56.79 4.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.866 ' O ' HG12 ' A' ' 121' ' ' VAL . 38.8 t80 -54.8 -35.3 63.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' TRP . . . . . 0.87 ' HZ3' HG21 ' A' ' 126' ' ' VAL . 70.5 m95 -72.98 -17.05 61.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 108.024 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.34 -23.09 19.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.421 ' CG ' ' N ' ' A' ' 121' ' ' VAL . 1.0 OUTLIER -95.6 -43.54 7.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 110.309 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.866 HG12 ' O ' ' A' ' 117' ' ' PHE . 9.1 p -71.17 118.57 67.03 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.59 ' O ' HG12 ' A' ' 126' ' ' VAL . 18.4 Cg_endo -74.94 168.87 23.87 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.493 1.786 . . . . 0.0 111.034 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.538 ' HA ' HG12 ' A' ' 126' ' ' VAL . 0.0 OUTLIER -76.8 1.51 17.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.288 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -102.13 -12.35 18.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.511 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 27.1 mmtt -104.67 -30.4 9.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.87 HG21 ' HZ3' ' A' ' 118' ' ' TRP . 8.0 p -87.16 132.62 32.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' MET . . . . . 0.584 ' CE ' ' HB3' ' A' ' 100' ' ' ALA . 17.4 tmm? -79.63 140.31 37.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.457 ' HB3' HD11 ' A' ' 97' ' ' LEU . 39.5 mt-10 -122.19 121.98 38.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' HIS . . . . . 0.725 ' HB3' HD12 ' A' ' 21' ' ' ILE . 43.4 t60 -121.43 133.48 55.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.636 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 2.6 mpp_? -108.77 133.94 52.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 1.092 HD22 HD22 ' A' ' 27' ' ' LEU . 0.7 OUTLIER -106.34 162.41 13.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.247 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.472 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 0.7 OUTLIER -130.46 152.57 49.7 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 110.261 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 133' ' ' CYS . . . . . 0.451 ' SG ' ' CG2' ' A' ' 90' ' ' VAL . 6.3 t -85.66 126.32 33.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.133 . . . . 0.0 108.295 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.604 179.984 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 43.1 t -131.77 126.96 58.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -73.99 95.45 2.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.556 ' HD3' ' CD2' ' A' ' 20' ' ' HIS . 2.5 mmtp -66.71 82.91 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.462 ' O ' ' CE1' ' A' ' 20' ' ' HIS . . . -70.36 163.84 52.72 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.409 ' O ' HD23 ' A' ' 18' ' ' LEU . 18.4 Cg_endo -75.02 -17.22 19.67 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.53 1.805 . . . . 0.0 110.977 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.555 ' HA ' HG23 ' A' ' 47' ' ' THR . 2.6 mt -125.36 -76.47 0.59 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.58 ' HB2' HG11 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -111.94 123.87 51.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.256 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.635 ' CE1' HG11 ' A' ' 46' ' ' VAL . 1.8 m-70 -74.95 159.01 32.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.645 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.447 ' CD1' ' CG2' ' A' ' 98' ' ' ILE . 1.2 mm -120.38 131.46 72.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.487 ' HA ' ' HA ' ' A' ' 23' ' ' PRO . 1.2 t -136.93 119.31 11.5 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.954 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.487 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 18.2 Cg_endo -75.0 -161.56 2.52 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 120.982 -2.508 . . . . 0.0 111.026 -0.058 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.75 -96.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.465 ' O ' ' CG ' ' A' ' 132' ' ' ARG . 4.4 mt-10 -124.16 62.64 1.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.406 ' O ' ' HG2' ' A' ' 23' ' ' PRO . 0.0 OUTLIER -162.44 102.72 1.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.297 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.635 ' CD2' HG21 ' A' ' 39' ' ' THR . 2.7 tp -100.11 124.45 45.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.152 . . . . 0.0 109.335 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -118.97 95.93 5.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.402 ' CG ' HG21 ' A' ' 90' ' ' VAL . 37.1 m-85 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 111.034 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.3 mtpt . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.431 ' CB ' ' HB2' ' A' ' 83' ' ' SER . 0.0 OUTLIER -115.67 145.63 42.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.635 HG21 ' CD2' ' A' ' 27' ' ' LEU . 10.0 t -103.96 136.42 43.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 110.418 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.681 HD12 ' N ' ' A' ' 41' ' ' ILE . 0.4 OUTLIER -112.59 117.75 33.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.923 HD13 HD11 ' A' ' 98' ' ' ILE . 16.7 mt -93.3 146.41 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.813 ' C ' HD13 ' A' ' 43' ' ' LEU . 1.8 t -131.74 140.17 48.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.907 HD23 ' CG2' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -123.49 147.24 47.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.405 ' C ' HD13 ' A' ' 19' ' ' LEU . 9.7 m -116.97 110.77 18.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.434 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.432 ' CG ' ' HA ' ' A' ' 74' ' ' PRO . 45.6 t-20 -75.16 86.01 2.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.635 HG11 ' CE1' ' A' ' 20' ' ' HIS . 17.0 m -71.0 -28.61 33.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.555 HG23 ' HA ' ' A' ' 18' ' ' LEU . 2.8 p -66.16 158.41 28.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.375 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.36 28.11 3.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -148.68 143.91 26.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.564 HD12 ' HB2' ' A' ' 107' ' ' SER . 16.0 mt -44.99 145.51 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.58 HG11 ' HB2' ' A' ' 19' ' ' LEU . 94.9 t -128.3 122.9 58.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.522 ' O ' ' CZ2' ' A' ' 118' ' ' TRP . . . -90.02 109.53 20.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.583 ' CE1' HD13 ' A' ' 78' ' ' ILE . 51.9 p90 -102.9 160.68 14.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 111.035 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.58 ' HE3' ' CD1' ' A' ' 118' ' ' TRP . 29.8 mttm -152.29 131.08 12.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 1.044 HG21 HG21 ' A' ' 80' ' ' ILE . 46.3 t -102.03 137.62 29.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.1 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.578 ' HG3' HD23 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -145.62 166.41 25.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.349 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.427 ' OG1' ' N ' ' A' ' 58' ' ' THR . 0.4 OUTLIER -160.76 170.93 19.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.393 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.427 ' N ' ' OG1' ' A' ' 57' ' ' THR . 54.4 p -81.11 5.76 15.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.375 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.878 ' HB1' ' HD3' ' A' ' 62' ' ' LYS . . . -155.76 74.8 5.12 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -21.41 15.89 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.495 1.787 . . . . 0.0 110.959 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -90.27 29.07 1.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.102 . . . . 0.0 110.33 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.878 ' HD3' ' HB1' ' A' ' 59' ' ' ALA . 1.8 mtpm? -141.27 -46.32 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.414 ' CE2' ' HB3' ' A' ' 59' ' ' ALA . 26.2 m-85 -105.82 122.81 46.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 111.035 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -88.96 107.13 18.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 1.015 HG11 HG11 ' A' ' 55' ' ' VAL . 3.3 t -102.31 137.2 31.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.498 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.0 OUTLIER -163.3 132.35 2.99 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.723 ' HD2' HD13 ' A' ' 80' ' ' ILE . 18.2 Cg_endo -75.05 142.31 74.31 Favored 'Cis proline' 0 C--N 1.36 1.184 0 C-N-CA 120.967 -2.514 . . . . 0.0 110.993 0.042 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.428 ' HB3' ' O ' ' A' ' 65' ' ' VAL . 6.9 p -113.36 26.58 10.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.968 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 176.33 82.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.3 -179.64 7.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 109.986 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.422 ' HA ' ' O ' ' A' ' 51' ' ' VAL . 97.6 p -126.6 160.98 29.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.01 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.428 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 27.6 t -120.86 139.97 52.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 108.301 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -72.39 160.09 83.69 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.432 ' HA ' ' CG ' ' A' ' 45' ' ' ASN . 18.5 Cg_endo -74.92 125.25 9.24 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.525 1.803 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.47 34.47 16.54 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.423 1.077 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -143.23 178.22 7.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 0.733 . . . . 0.0 109.327 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.428 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 1.8 p -136.77 134.43 37.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.005 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.907 ' CG2' HD23 ' A' ' 43' ' ' LEU . 1.2 tt -105.04 169.79 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.415 ' OD1' HG22 ' A' ' 42' ' ' VAL . 1.6 m-20 -130.43 129.83 43.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 1.044 HG21 HG21 ' A' ' 55' ' ' VAL . 1.3 mm -122.96 103.03 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.2 mp -74.82 145.94 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.748 ' CG2' HG13 ' A' ' 65' ' ' VAL . 5.2 t -140.21 105.21 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.431 ' HB2' ' CB ' ' A' ' 38' ' ' LYS . 23.2 t -127.35 143.82 48.59 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.982 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 176.66 9.62 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.57 1.826 . . . . 0.0 110.965 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.555 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.446 ' OG1' ' N ' ' A' ' 90' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.446 ' N ' ' OG1' ' A' ' 89' ' ' THR . 94.3 t -75.4 115.21 16.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.94 -161.33 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.002 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -117.03 -45.69 2.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 109.266 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -68.74 -9.57 51.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.291 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.2 p30 -68.01 118.06 10.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.425 ' HG3' ' N ' ' A' ' 96' ' ' PHE . 5.4 tpp180 -117.87 144.8 45.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.318 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.518 ' CZ ' HG11 ' A' ' 82' ' ' VAL . 24.0 m-85 -110.94 154.07 24.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 111.044 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.578 HD23 ' HG3' ' A' ' 56' ' ' ARG . 19.1 tp -137.69 138.21 39.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.923 HD11 HD13 ' A' ' 41' ' ' ILE . 3.3 mt -128.5 118.92 48.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.695 ' HE3' ' CZ3' ' A' ' 118' ' ' TRP . 20.7 mtm -96.98 157.11 16.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 110.98 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.497 ' HB1' ' HB2' ' A' ' 19' ' ' LEU . . . -162.2 117.59 1.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 0.0 109.276 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.927 ' HB2' HG23 ' A' ' 126' ' ' VAL . . . -126.82 135.93 51.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.422 ' HG3' HG21 ' A' ' 47' ' ' THR . 2.6 tt0 -74.84 122.51 23.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.293 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.545 ' HG2' ' CE1' ' A' ' 117' ' ' PHE . 17.7 mtp -92.54 170.8 9.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.962 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -73.25 -145.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -85.62 -80.21 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.357 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.4 m -70.69 117.31 12.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.008 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.564 ' HB2' HD12 ' A' ' 50' ' ' ILE . 18.9 m -141.98 118.96 11.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 110.02 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -66.15 -15.29 62.84 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.452 1.095 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.517 HG21 HD13 ' A' ' 50' ' ' ILE . 46.2 p 40.83 52.07 3.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 110.408 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -120.86 -169.0 13.71 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.431 1.082 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -17.86 19.33 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.541 1.811 . . . . 0.0 111.006 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -91.74 -72.41 0.59 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 112' ' ' ALA . 3.1 mm-40 -38.15 -45.9 0.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 110.259 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 76.5 mt -61.43 -65.4 0.7 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -38.47 -38.93 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.991 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -74.82 -53.44 9.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.851 ' O ' HG12 ' A' ' 121' ' ' VAL . 89.8 t80 -56.23 -35.8 67.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 110.95 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' TRP . . . . . 0.874 ' CZ3' HG21 ' A' ' 126' ' ' VAL . 68.7 m95 -73.64 -16.98 61.21 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.39 -22.74 18.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -95.1 -40.81 9.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.851 HG12 ' O ' ' A' ' 117' ' ' PHE . 7.6 p -73.23 118.93 72.84 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.54 ' O ' HG12 ' A' ' 126' ' ' VAL . 18.4 Cg_endo -74.96 170.21 20.91 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.459 1.768 . . . . 0.0 111.033 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.59 ' HA ' HG12 ' A' ' 126' ' ' VAL . 0.0 OUTLIER -77.45 1.01 20.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.276 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ASN . . . . . 0.486 ' N ' ' HD2' ' A' ' 123' ' ' ARG . 38.8 t30 -99.91 -17.43 17.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.496 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 25.5 mmtt -100.37 -28.78 12.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.927 HG23 ' HB2' ' A' ' 101' ' ' ALA . 12.2 p -93.3 136.86 23.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' MET . . . . . 0.463 ' CE ' ' O ' ' A' ' 19' ' ' LEU . 64.4 ttp -81.37 154.76 26.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.972 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.492 ' HB3' HD11 ' A' ' 97' ' ' LEU . 27.8 mt-10 -141.06 117.17 10.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' HIS . . . . . 0.512 ' O ' HD12 ' A' ' 97' ' ' LEU . 13.0 t-80 -120.72 124.97 46.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.619 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.487 ' HG3' HD13 ' A' ' 97' ' ' LEU . 3.6 mpp_? -97.85 123.25 41.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.736 HD12 ' CD1' ' A' ' 98' ' ' ILE . 0.3 OUTLIER -94.72 157.81 15.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.465 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 0.2 OUTLIER -123.34 149.01 45.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.27 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 90.0 m -94.21 123.13 37.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 108.29 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.587 179.999 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.838 HG13 ' O ' ' A' ' 21' ' ' ILE . 71.3 t -136.05 127.4 43.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.752 ' CG ' ' CE1' ' A' ' 129' ' ' HIS . 68.0 t80 -73.86 95.46 2.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 111.024 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.611 ' HD3' ' CD2' ' A' ' 20' ' ' HIS . 23.3 mmtp -65.41 114.23 4.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -99.06 160.25 20.06 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.492 1.12 . . . . 0.0 110.965 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.427 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.3 Cg_endo -75.09 -14.85 20.82 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.473 1.775 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.568 ' HA ' HG23 ' A' ' 47' ' ' THR . 2.8 mt -125.94 -75.79 0.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.624 HD21 ' HB3' ' A' ' 72' ' ' CYS . 0.0 OUTLIER -108.01 139.14 43.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.1 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.841 ' CE1' HG11 ' A' ' 46' ' ' VAL . 0.3 OUTLIER -86.88 156.89 19.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.568 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.838 ' O ' HG13 ' A' ' 13' ' ' VAL . 2.9 mm -124.58 144.61 33.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.425 ' O ' ' HA ' ' A' ' 41' ' ' ILE . 6.7 t -155.41 127.35 3.85 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.022 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.425 ' C ' ' HA ' ' A' ' 22' ' ' SER . 18.2 Cg_endo -75.01 -176.69 18.6 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 120.953 -2.52 . . . . 0.0 110.994 -0.011 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.93 -93.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.436 ' HA ' HD23 ' A' ' 131' ' ' LEU . 3.5 pt-20 -132.7 60.57 1.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 110.283 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 23' ' ' PRO . 2.2 pt-20 -163.11 103.8 0.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.734 ' HG ' HD22 ' A' ' 131' ' ' LEU . 33.8 mt -99.5 142.95 30.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.452 ' CE1' ' HB3' ' A' ' 134' ' ' HIS . 2.1 m-85 -132.56 97.84 4.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 179.989 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.5 mtmt . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.694 ' HD2' HG23 ' A' ' 81' ' ' ILE . 0.3 OUTLIER -130.25 141.14 50.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.355 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.531 HG21 HD22 ' A' ' 27' ' ' LEU . 9.2 t -108.92 144.81 36.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.386 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.863 HD12 ' N ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -118.52 117.1 28.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.972 HD13 HD11 ' A' ' 98' ' ' ILE . 72.4 mt -91.3 135.34 27.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.6 t -107.57 142.07 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.845 ' HB2' HG22 ' A' ' 78' ' ' ILE . 18.4 mt -127.37 106.48 9.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -97.99 108.04 20.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.393 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.545 ' OD1' HD22 ' A' ' 19' ' ' LEU . 29.5 t30 -76.24 113.35 13.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.841 HG11 ' CE1' ' A' ' 20' ' ' HIS . 22.3 m -89.45 -30.47 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.568 HG23 ' HA ' ' A' ' 18' ' ' LEU . 1.0 OUTLIER -65.02 151.54 45.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.403 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.3 28.89 1.79 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.63 ' O ' HG23 ' A' ' 51' ' ' VAL . 83.2 m-20 -144.25 137.48 27.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.665 HG23 ' OG ' ' A' ' 71' ' ' SER . 10.0 mt -42.01 137.88 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.085 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.643 HG22 ' HA ' ' A' ' 102' ' ' GLU . 53.3 t -130.71 125.3 58.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.83 ' HB2' ' SD ' ' A' ' 103' ' ' MET . . . -87.19 128.63 35.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.815 ' CE2' HD13 ' A' ' 78' ' ' ILE . 38.7 p90 -118.06 158.8 24.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.539 ' HD2' ' CD2' ' A' ' 118' ' ' TRP . 8.2 mttm -150.27 148.59 29.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 1.081 HG21 HG21 ' A' ' 80' ' ' ILE . 91.9 t -115.8 111.5 35.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 44.9 mtt-85 -108.13 169.92 8.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.307 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.4 t -172.35 166.74 5.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.425 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 40.2 p -86.61 14.54 6.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 110.366 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.581 ' HB1' ' HD3' ' A' ' 62' ' ' LYS . . . -162.76 74.52 2.05 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -7.64 19.37 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.492 1.785 . . . . 0.0 110.976 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -109.14 32.61 4.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 110.289 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.581 ' HD3' ' HB1' ' A' ' 59' ' ' ALA . 24.5 mtpt -144.56 -46.14 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -101.36 122.29 43.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -79.44 97.63 6.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 110.345 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.489 HG23 ' CB ' ' A' ' 68' ' ' SER . 0.6 OUTLIER -101.14 116.4 44.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.513 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.4 OUTLIER -156.92 132.73 5.83 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.743 ' HD2' HD13 ' A' ' 80' ' ' ILE . 18.4 Cg_endo -75.01 147.4 89.19 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 121.049 -2.479 . . . . 0.0 110.973 0.068 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.489 ' CB ' HG23 ' A' ' 65' ' ' VAL . 1.9 p -112.99 -0.15 14.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 110.038 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.407 ' O ' ' HB2' ' A' ' 70' ' ' SER . 5.2 p30 -155.0 113.0 3.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.443 ' C ' HD11 ' A' ' 114' ' ' LEU . 0.1 OUTLIER 172.32 -165.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.998 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.922 ' HB3' HG22 ' A' ' 109' ' ' THR . 0.0 OUTLIER -138.93 160.54 39.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.017 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.624 ' HB3' HD21 ' A' ' 19' ' ' LEU . 28.1 t -121.59 116.93 25.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 108.289 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -46.92 160.47 0.33 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 121.52 6.63 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.455 1.766 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.11 41.3 8.11 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.431 1.082 . . . . 0.0 111.037 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -142.9 179.72 6.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 0.758 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.4 p -139.13 132.38 29.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.008 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.845 HG22 ' HB2' ' A' ' 43' ' ' LEU . 0.9 OUTLIER -104.94 171.82 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.477 ' CA ' HD11 ' A' ' 40' ' ' LEU . 69.3 m-20 -131.49 122.13 25.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 1.081 HG21 HG21 ' A' ' 55' ' ' VAL . 3.2 mm -116.56 104.44 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.694 HG23 ' HD2' ' A' ' 38' ' ' LYS . 2.6 mp -76.9 145.75 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.732 HG11 ' CZ ' ' A' ' 96' ' ' PHE . 95.6 t -139.85 99.44 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.7 t -120.85 130.92 24.63 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.03 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 168.54 24.6 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 6.1 m170 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 109.618 179.955 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.423 ' OG1' ' N ' ' A' ' 90' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.392 -0.225 . . . . 0.0 110.392 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.423 ' N ' ' OG1' ' A' ' 89' ' ' THR . 39.2 t -98.17 106.1 18.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.128 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.1 m -106.79 168.74 8.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.965 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -92.24 35.85 1.0 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.108 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -108.92 -24.91 11.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.12 . . . . 0.0 110.268 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -84.85 162.58 19.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.18 152.31 37.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.732 ' CZ ' HG11 ' A' ' 82' ' ' VAL . 48.5 m-85 -117.82 152.54 35.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -137.22 103.79 5.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.972 HD11 HD13 ' A' ' 41' ' ' ILE . 3.7 mt -92.09 132.2 37.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.673 ' HE3' ' CZ3' ' A' ' 118' ' ' TRP . 27.4 mtm -111.42 155.03 23.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.559 ' C ' HG23 ' A' ' 126' ' ' VAL . . . -158.73 117.15 2.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.337 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.71 ' HB2' ' CB ' ' A' ' 126' ' ' VAL . . . -129.69 139.65 51.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.643 ' HA ' HG22 ' A' ' 51' ' ' VAL . 0.7 OUTLIER -69.73 127.36 32.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 110.281 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.83 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 16.6 mtp -96.64 171.94 8.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 111.028 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 103' ' ' MET . 3.2 mt-10 -60.57 -135.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.298 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.87 -81.57 0.49 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 110.274 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.5 m -94.46 104.22 16.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.031 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.49 145.14 36.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.023 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -87.88 140.16 16.27 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.556 1.16 . . . . 0.0 110.986 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.922 HG22 ' HB3' ' A' ' 71' ' ' SER . 19.4 p -93.53 60.09 3.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 0.772 . . . . 0.0 110.411 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.993 ' O ' HD23 ' A' ' 114' ' ' LEU . . . -103.34 -174.3 26.18 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -18.83 18.43 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.516 1.798 . . . . 0.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.466 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -92.67 -72.58 0.59 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' A' ' 112' ' ' ALA . 4.7 mm-40 -34.0 -40.47 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 110.326 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.993 HD23 ' O ' ' A' ' 110' ' ' GLY . 4.4 mm? -66.48 -69.83 0.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.6 t -43.17 -44.46 5.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.966 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.48 ' HA ' ' CG ' ' A' ' 119' ' ' LYS . 1.4 mt-30 -63.56 -35.13 79.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.672 ' O ' HG12 ' A' ' 121' ' ' VAL . 84.1 t80 -85.62 -20.92 28.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' TRP . . . . . 0.859 ' CZ3' HG21 ' A' ' 126' ' ' VAL . 63.1 m95 -89.06 -27.72 20.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 108.008 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.48 ' CG ' ' HA ' ' A' ' 116' ' ' GLN . 0.0 OUTLIER -80.49 -20.87 42.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -95.67 -45.68 6.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.285 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.672 HG12 ' O ' ' A' ' 117' ' ' PHE . 6.9 p -69.69 121.23 81.81 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.567 ' O ' HG12 ' A' ' 126' ' ' VAL . 18.3 Cg_endo -74.99 166.78 28.49 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.518 1.799 . . . . 0.0 110.969 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.492 ' HA ' HG12 ' A' ' 126' ' ' VAL . 0.0 OUTLIER -76.79 1.59 16.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -102.29 -9.63 20.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.527 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 29.5 mmtt -106.99 -22.68 12.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.859 HG21 ' CZ3' ' A' ' 118' ' ' TRP . 7.6 p -97.29 144.66 10.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' MET . . . . . 0.447 ' CE ' ' HB3' ' A' ' 100' ' ' ALA . 34.1 ttp -85.03 119.37 25.35 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.142 . . . . 0.0 111.053 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -101.12 122.27 43.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 110.288 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' HIS . . . . . 0.752 ' CE1' ' CG ' ' A' ' 14' ' ' PHE . 36.9 t60 -127.96 119.55 25.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.568 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.88 138.86 31.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.328 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.815 HD12 ' CD1' ' A' ' 98' ' ' ILE . 0.3 OUTLIER -118.92 145.79 45.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 109.362 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -113.57 160.83 18.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 77.5 m -111.46 125.13 53.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 108.317 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' HIS . . . . . 0.452 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.568 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.0 p . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.786 HG22 ' OG ' ' A' ' 22' ' ' SER . 95.0 t -136.92 120.37 22.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.459 ' CD2' ' ND1' ' A' ' 129' ' ' HIS . 34.8 t80 -73.37 95.1 2.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.978 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.659 ' HD3' ' CD2' ' A' ' 20' ' ' HIS . 22.2 mmtp -62.29 106.82 0.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -92.96 159.6 24.61 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.554 1.159 . . . . 0.0 111.015 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.448 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.3 Cg_endo -74.98 -15.59 20.71 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.493 1.786 . . . . 0.0 111.02 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.607 ' HA ' HG23 ' A' ' 47' ' ' THR . 0.3 OUTLIER -127.24 -73.6 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.274 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.686 HD23 ' CG1' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -108.26 127.36 53.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.659 ' CD2' ' HD3' ' A' ' 15' ' ' LYS . 0.3 OUTLIER -79.94 127.4 32.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.642 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 1.017 HG21 ' CD2' ' A' ' 129' ' ' HIS . 1.4 mm -95.53 143.79 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.786 ' OG ' HG22 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -152.05 131.0 6.52 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 109.975 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.536 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 18.4 Cg_endo -74.95 -161.13 2.38 Favored 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 121.052 -2.478 . . . . 0.0 111.04 -0.085 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.25 -107.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.441 ' HB2' ' CD ' ' A' ' 132' ' ' ARG . 0.9 OUTLIER -105.07 65.23 0.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.587 1.179 . . . . 0.0 110.263 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.536 ' O ' ' HG2' ' A' ' 23' ' ' PRO . 7.9 pt-20 -163.0 144.58 9.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.429 1.081 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.678 ' HG ' HG21 ' A' ' 39' ' ' THR . 1.7 tp -147.87 122.3 9.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.459 ' CE1' ' HB3' ' A' ' 134' ' ' HIS . 2.8 m-85 -121.89 126.37 48.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.519 ' CG ' HG21 ' A' ' 90' ' ' VAL . 8.4 m-85 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.0 mttm . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.446 ' CB ' ' HB2' ' A' ' 83' ' ' SER . 0.3 OUTLIER -149.14 162.68 39.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.678 HG21 ' HG ' ' A' ' 27' ' ' LEU . 3.9 t -118.49 161.32 20.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.403 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.51 ' CD1' ' C ' ' A' ' 80' ' ' ILE . 0.7 OUTLIER -132.25 117.09 17.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 1.0 HD13 HD11 ' A' ' 98' ' ' ILE . 28.9 mt -90.76 136.02 25.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.8 t -112.76 136.39 49.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.84 ' HB2' HG22 ' A' ' 78' ' ' ILE . 37.4 mt -119.99 106.91 12.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.4 m -96.15 109.0 21.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.421 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.415 ' CG ' ' HA ' ' A' ' 74' ' ' PRO . 56.1 t-20 -76.46 113.07 13.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.572 HG11 ' CE1' ' A' ' 20' ' ' HIS . 7.5 m -91.76 -40.38 12.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.607 HG23 ' HA ' ' A' ' 18' ' ' LEU . 1.3 p -52.37 156.8 1.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.368 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.89 29.16 2.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.566 ' O ' HG23 ' A' ' 51' ' ' VAL . 9.5 m-80 -151.11 137.47 18.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.416 ' C ' ' O ' ' A' ' 49' ' ' ASN . 43.4 mt -38.96 147.09 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.954 HG22 ' HA ' ' A' ' 102' ' ' GLU . 41.0 t -138.54 125.31 26.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.835 ' HB1' ' CD1' ' A' ' 114' ' ' LEU . . . -82.12 137.11 35.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.835 ' CE2' HD13 ' A' ' 78' ' ' ILE . 17.9 p90 -126.62 162.48 25.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.998 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.572 ' HD2' ' CD1' ' A' ' 118' ' ' TRP . 24.7 mttt -155.15 156.12 35.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.733 HG21 HG21 ' A' ' 80' ' ' ILE . 21.7 t -137.39 121.47 22.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.519 ' CD ' ' HB3' ' A' ' 97' ' ' LEU . 5.0 ppt_? -136.36 172.9 12.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.403 ' OG1' ' N ' ' A' ' 58' ' ' THR . 0.1 OUTLIER -158.66 169.76 23.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.391 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.403 ' N ' ' OG1' ' A' ' 57' ' ' THR . 77.7 p -72.89 -2.69 21.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 110.411 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.722 ' HB1' ' CD ' ' A' ' 62' ' ' LYS . . . -148.98 75.73 9.76 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -14.97 20.88 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.525 1.803 . . . . 0.0 111.009 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.513 ' O ' ' CD2' ' A' ' 85' ' ' HIS . 15.2 pt-20 -93.03 15.72 14.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.722 ' CD ' ' HB1' ' A' ' 59' ' ' ALA . 4.8 mttp -128.03 -46.04 1.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.451 ' OH ' ' CB ' ' A' ' 94' ' ' ASP . 55.3 m-85 -102.12 116.11 31.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 111.027 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 83' ' ' SER . 2.5 tpt180 -81.01 99.59 8.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.723 HG13 HG22 ' A' ' 82' ' ' VAL . 2.6 t -97.95 131.77 44.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.511 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.4 OUTLIER -163.71 134.26 3.37 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.797 ' HD2' HD13 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -75.02 140.63 68.37 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 121.027 -2.489 . . . . 0.0 110.956 0.024 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.419 ' HB3' ' O ' ' A' ' 65' ' ' VAL . 11.7 p -111.92 40.87 2.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 110.01 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.419 ' O ' ' HB2' ' A' ' 70' ' ' SER . 6.4 p-10 167.51 108.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.58 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 21.4 t 172.09 -169.47 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 0.0 110.017 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.518 ' N ' ' OG ' ' A' ' 70' ' ' SER . 0.7 OUTLIER -137.45 154.01 49.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.004 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.445 ' HB3' HD21 ' A' ' 19' ' ' LEU . 52.5 t -114.48 117.42 30.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.455 1.097 . . . . 0.0 108.336 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.04 165.2 0.62 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.415 ' HA ' ' CG ' ' A' ' 45' ' ' ASN . 18.4 Cg_endo -74.96 134.62 18.1 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.534 1.807 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.87 30.73 61.07 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.448 1.092 . . . . 0.0 111.054 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -134.44 -179.84 5.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 0.775 . . . . 0.0 109.266 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.419 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 2.0 p -145.03 133.41 21.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.019 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.84 HG22 ' HB2' ' A' ' 43' ' ' LEU . 0.9 OUTLIER -105.4 169.42 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.406 ' O ' ' HD2' ' A' ' 67' ' ' PRO . 2.0 m-20 -130.4 123.19 29.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.797 HD13 ' HD2' ' A' ' 67' ' ' PRO . 2.2 mm -120.72 108.31 22.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.407 HD12 HD13 ' A' ' 40' ' ' LEU . 2.4 mp -78.49 146.74 7.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.723 HG22 HG13 ' A' ' 65' ' ' VAL . 7.3 t -140.62 101.98 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.446 ' HB2' ' CB ' ' A' ' 38' ' ' LYS . 47.7 t -126.69 146.87 58.62 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.973 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 177.1 9.02 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.501 1.79 . . . . 0.0 111.03 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.513 ' CD2' ' O ' ' A' ' 61' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.62 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.519 HG21 ' CG ' ' A' ' 29' ' ' PHE . 3.1 t -76.66 -12.94 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.3 m 52.1 177.01 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.43 1.081 . . . . 0.0 110.006 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -109.81 -5.15 15.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -91.77 -34.12 14.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 110.299 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.451 ' CB ' ' OH ' ' A' ' 63' ' ' TYR . 1.9 p-10 -46.7 145.11 2.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 109.253 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.8 mmm180 -146.75 134.54 21.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 110.295 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.632 ' CZ ' ' CG1' ' A' ' 82' ' ' VAL . 69.0 m-85 -105.07 155.22 19.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.678 HD23 ' HD2' ' A' ' 130' ' ' ARG . 3.2 tm? -136.07 138.66 42.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 1.0 HD11 HD13 ' A' ' 41' ' ' ILE . 5.1 mt -127.88 141.79 45.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.342 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 4.5 mtp -117.76 155.12 30.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.964 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.447 ' HB3' ' HE2' ' A' ' 127' ' ' MET . . . -157.9 125.39 5.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.765 ' HB1' HG21 ' A' ' 121' ' ' VAL . . . -138.13 132.72 32.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.357 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.954 ' HA ' HG22 ' A' ' 51' ' ' VAL . 1.3 tt0 -68.72 116.54 9.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.297 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.648 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 21.8 mtp -88.67 172.56 9.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -91.01 -169.29 2.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.293 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -53.7 -81.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.286 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.66 128.14 35.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.009 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 10.7 m -167.26 109.28 0.65 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 110.011 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.405 ' O ' ' OG1' ' A' ' 109' ' ' THR . . . -81.01 -6.53 89.4 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.465 1.103 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.727 ' HA ' HD21 ' A' ' 114' ' ' LEU . 44.8 p 46.48 35.14 2.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 110.391 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.931 ' O ' HD23 ' A' ' 114' ' ' LEU . . . -86.12 -166.06 41.69 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -22.07 15.37 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.478 1.778 . . . . 0.0 111.04 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.484 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -93.11 -65.64 0.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.484 ' C ' ' O ' ' A' ' 112' ' ' ALA . 2.8 mm-40 -32.31 -40.41 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.304 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.931 HD23 ' O ' ' A' ' 110' ' ' GLY . 3.5 mm? -71.88 -69.03 0.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.6 -31.87 2.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.998 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.5 ' HA ' ' CG ' ' A' ' 119' ' ' LYS . 2.4 mt-30 -80.51 -31.56 37.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.685 ' HE2' ' HB3' ' A' ' 101' ' ' ALA . 82.9 t80 -83.84 -21.78 31.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' TRP . . . . . 0.637 ' HA ' HG12 ' A' ' 121' ' ' VAL . 63.4 m95 -87.21 -28.4 22.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 108.01 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.5 ' CG ' ' HA ' ' A' ' 116' ' ' GLN . 0.0 OUTLIER -81.3 -22.77 38.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.362 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.43 ' CG ' ' HD2' ' A' ' 119' ' ' LYS . 1.8 mt-10 -93.28 -44.99 8.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.765 HG21 ' HB1' ' A' ' 101' ' ' ALA . 5.9 p -69.27 125.13 91.74 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.737 ' O ' HG23 ' A' ' 126' ' ' VAL . 18.3 Cg_endo -74.95 154.47 42.75 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.502 1.791 . . . . 0.0 110.96 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.43 -32.69 62.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -63.02 -26.29 68.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.273 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.48 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 32.3 mmtt -101.16 7.47 43.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 122' ' ' PRO . 75.1 t -112.48 123.83 68.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' MET . . . . . 0.501 ' HE1' ' CG1' ' A' ' 21' ' ' ILE . 16.6 ttp -90.52 101.69 14.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.473 ' HB3' HD21 ' A' ' 97' ' ' LEU . 6.1 mt-10 -86.11 124.58 32.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 110.353 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' HIS . . . . . 1.017 ' CD2' HG21 ' A' ' 21' ' ' ILE . 78.0 t60 -122.02 112.01 17.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.635 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.678 ' HD2' HD23 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -91.43 123.82 35.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.354 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.574 HD22 ' CD2' ' A' ' 129' ' ' HIS . 0.3 OUTLIER -92.52 144.06 25.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.337 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.441 ' CD ' ' HB2' ' A' ' 25' ' ' GLU . 4.8 ptp180 -123.19 142.07 51.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 9.7 t -78.54 149.7 33.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 108.297 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' HIS . . . . . 0.459 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 2.5 t60 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.58 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.2 m . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.625 HG22 ' CE ' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -132.75 143.09 40.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.339 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.537 ' CG ' ' NE2' ' A' ' 129' ' ' HIS . 21.6 t80 -73.28 96.26 2.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 110.976 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.625 ' CE ' HG22 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -58.42 99.84 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -89.82 155.07 24.39 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.483 1.114 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.424 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.3 Cg_endo -74.99 -19.66 17.65 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.455 1.766 . . . . 0.0 110.978 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.496 ' HA ' ' CG2' ' A' ' 47' ' ' THR . 3.1 mt -120.41 -75.61 0.59 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.626 HD22 ' OD1' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -109.64 134.46 51.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.303 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.807 ' CE1' HG11 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -80.75 156.06 26.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.656 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.779 HD13 ' CD2' ' A' ' 43' ' ' LEU . 2.7 mm -128.98 122.89 57.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.563 ' O ' HG23 ' A' ' 41' ' ' ILE . 4.5 t -131.66 128.93 21.92 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.978 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.497 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 18.3 Cg_endo -74.98 -162.56 2.82 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 121.001 -2.5 . . . . 0.0 111.009 -0.102 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.31 -98.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.276 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.507 ' O ' ' CG ' ' A' ' 132' ' ' ARG . 22.6 mt-10 -115.51 66.72 0.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.341 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.583 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 2.3 pt-20 -162.95 153.19 16.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.465 HD23 ' HA ' ' A' ' 27' ' ' LEU . 12.6 mt -149.76 127.3 11.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.662 ' CE2' ' CD2' ' A' ' 134' ' ' HIS . 3.7 m-85 -109.43 120.93 44.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.932 ' CE2' HG21 ' A' ' 90' ' ' VAL . 57.2 m-85 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.955 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.96 157.68 43.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.486 ' CG2' ' HB ' ' A' ' 82' ' ' VAL . 9.4 t -112.7 160.4 17.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.428 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.549 HD12 ' N ' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -131.74 117.9 19.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.563 HG23 ' O ' ' A' ' 22' ' ' SER . 11.4 mt -90.96 146.4 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.6 t -119.39 135.6 59.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.842 ' HB2' HG22 ' A' ' 78' ' ' ILE . 19.1 mt -121.09 105.73 10.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.407 ' HB ' ' HB2' ' A' ' 20' ' ' HIS . 1.6 m -97.54 106.72 19.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.372 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.626 ' OD1' HD22 ' A' ' 19' ' ' LEU . 9.6 t-20 -69.78 111.33 5.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.807 HG11 ' CE1' ' A' ' 20' ' ' HIS . 11.3 m -101.69 34.09 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.251 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.496 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 1.2 p -120.72 163.59 17.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.127 . . . . 0.0 110.389 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -97.06 23.06 7.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.521 ' O ' HG23 ' A' ' 51' ' ' VAL . 8.4 m-80 -154.06 143.2 21.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 24.1 mt -43.73 148.66 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.348 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.831 HG22 ' HA ' ' A' ' 102' ' ' GLU . 54.2 t -138.96 122.47 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.839 ' HB1' ' CD1' ' A' ' 114' ' ' LEU . . . -80.64 138.57 36.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.85 ' CE2' HD13 ' A' ' 78' ' ' ILE . 18.0 p90 -131.46 147.72 52.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.16 . . . . 0.0 111.006 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.498 ' HD2' ' CD1' ' A' ' 118' ' ' TRP . 29.7 mttt -139.3 155.68 47.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 1.146 HG21 HG21 ' A' ' 80' ' ' ILE . 49.8 t -125.34 116.9 48.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.661 ' HB2' HD12 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -126.05 172.48 9.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 110.3 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.414 HG23 ' H ' ' A' ' 59' ' ' ALA . 4.5 t -164.36 167.9 19.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.418 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.41 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 9.2 p -87.83 24.21 1.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.383 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.486 ' HB1' ' HE3' ' A' ' 62' ' ' LYS . . . 179.84 71.95 0.16 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 0.54 8.73 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.445 1.76 . . . . 0.0 110.999 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -102.12 48.05 0.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.336 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.529 ' HD2' ' CE2' ' A' ' 63' ' ' TYR . 0.3 OUTLIER -168.57 -40.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.352 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.529 ' CE2' ' HD2' ' A' ' 62' ' ' LYS . 63.3 m-85 -101.75 134.54 44.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.993 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.21 92.62 6.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.462 ' O ' ' CG2' ' A' ' 65' ' ' VAL . 0.7 OUTLIER -97.9 118.4 44.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.369 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.519 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.6 OUTLIER -157.72 133.8 6.12 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.255 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.681 ' HD2' HD13 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -74.99 146.78 87.62 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 120.981 -2.508 . . . . 0.0 111.024 -0.044 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.461 ' HB3' ' O ' ' A' ' 65' ' ' VAL . 8.1 p -112.95 17.86 18.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.006 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.407 ' O ' ' HB2' ' A' ' 70' ' ' SER . 16.3 p-10 -171.18 107.64 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.613 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 46.4 t 177.82 -166.67 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.005 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.493 ' HB2' ' CG2' ' A' ' 109' ' ' THR . 0.8 OUTLIER -139.14 160.73 39.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.976 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.567 ' HB3' HD21 ' A' ' 19' ' ' LEU . 41.4 t -122.76 116.16 23.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 108.308 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -49.51 163.16 0.39 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 127.78 10.92 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.482 1.78 . . . . 0.0 110.941 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.48 35.28 33.37 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.126 . . . . 0.0 110.974 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -137.94 -178.89 5.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 0.768 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.0 p -142.85 134.06 25.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.004 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.85 HD13 ' CE2' ' A' ' 53' ' ' PHE . 1.0 OUTLIER -104.97 172.79 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.456 ' O ' HD13 ' A' ' 80' ' ' ILE . 3.2 m-20 -130.52 124.02 30.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 1.146 HG21 HG21 ' A' ' 55' ' ' VAL . 4.2 mm -120.19 103.45 14.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.4 mp -77.1 147.82 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.614 HG11 ' CZ ' ' A' ' 96' ' ' PHE . 96.9 t -140.68 97.48 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.09 124.51 34.49 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.026 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.508 ' HG3' ' CD1' ' A' ' 29' ' ' PHE . 18.4 Cg_endo -74.99 160.65 39.92 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.491 1.785 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.455 ' N ' ' O ' ' A' ' 62' ' ' LYS . 1.6 t-80 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.623 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.439 ' OG1' ' N ' ' A' ' 90' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.444 -0.206 . . . . 0.0 110.444 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.932 HG21 ' CE2' ' A' ' 29' ' ' PHE . 7.6 p -91.1 126.81 43.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.4 m -129.47 -173.78 3.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.993 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -93.01 40.38 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -115.97 -34.29 4.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.302 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -92.52 165.01 13.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -143.94 153.61 42.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.614 ' CZ ' HG11 ' A' ' 82' ' ' VAL . 27.4 m-85 -110.67 154.06 24.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.811 HD13 ' N ' ' A' ' 98' ' ' ILE . 1.9 tm? -133.6 146.75 51.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.811 ' N ' HD13 ' A' ' 97' ' ' LEU . 3.5 mt -137.36 137.54 45.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.564 ' HE2' ' CE2' ' A' ' 118' ' ' TRP . 18.7 mtp -110.39 153.2 25.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 110.975 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 52' ' ' ALA . . . -161.81 117.59 2.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.572 ' HB1' HG11 ' A' ' 121' ' ' VAL . . . -136.33 135.28 38.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.831 ' HA ' HG22 ' A' ' 51' ' ' VAL . 1.2 tt0 -69.96 119.99 15.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.752 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 13.2 mtp -89.88 172.0 9.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -68.26 -141.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 110.247 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -97.52 -32.1 11.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.294 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.74 136.5 45.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.993 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.461 ' HB2' ' HE2' ' A' ' 103' ' ' MET . 1.0 OUTLIER -173.91 127.75 0.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.001 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -86.73 -4.63 82.45 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.523 1.139 . . . . 0.0 111.021 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.778 ' HA ' HD21 ' A' ' 114' ' ' LEU . 68.0 p 43.01 36.52 0.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 0.783 . . . . 0.0 110.402 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.966 ' O ' HD23 ' A' ' 114' ' ' LEU . . . -88.72 -163.09 39.04 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.474 1.109 . . . . 0.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -47.62 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.495 1.787 . . . . 0.0 111.054 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.49 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -73.01 -60.54 2.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.49 ' C ' ' O ' ' A' ' 112' ' ' ALA . 27.5 mp0 -31.78 -52.42 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.329 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.966 HD23 ' O ' ' A' ' 110' ' ' GLY . 3.7 mm? -62.41 -69.65 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 114' ' ' LEU . 0.1 OUTLIER -39.02 -30.23 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.012 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 114' ' ' LEU . 3.4 mm100 -80.84 -53.68 6.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.988 ' O ' HG23 ' A' ' 121' ' ' VAL . 72.7 t80 -53.97 -42.07 68.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' TRP . . . . . 0.945 ' CZ3' HG13 ' A' ' 126' ' ' VAL . 24.5 m95 -67.16 -16.54 64.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 107.967 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.445 ' HG2' ' O ' ' A' ' 119' ' ' LYS . 0.0 OUTLIER -89.41 -15.73 32.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -97.82 -40.84 8.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.988 HG23 ' O ' ' A' ' 117' ' ' PHE . 2.3 t -71.09 129.26 89.56 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.927 ' O ' HG23 ' A' ' 126' ' ' VAL . 18.4 Cg_endo -74.97 170.33 20.66 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.471 1.774 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.19 2.51 15.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.243 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -101.01 -22.54 14.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.509 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 23.6 mmtt -102.25 -31.67 10.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.329 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.945 HG13 ' CZ3' ' A' ' 118' ' ' TRP . 47.1 t -70.44 109.67 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' MET . . . . . 0.424 ' SD ' ' HD2' ' A' ' 17' ' ' PRO . 36.4 ttp -79.88 117.37 20.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 110.986 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.732 ' HB3' HD21 ' A' ' 97' ' ' LEU . 15.1 mt-10 -106.04 124.28 49.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' HIS . . . . . 0.537 ' NE2' ' CG ' ' A' ' 14' ' ' PHE . 7.5 t-80 -118.35 118.33 31.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.603 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.689 ' HD2' HD23 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -95.52 130.27 42.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.32 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.622 HD12 ' CD1' ' A' ' 98' ' ' ILE . 1.3 mt -101.74 166.6 10.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.507 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -131.81 158.13 42.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.31 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 63.5 m -84.39 145.1 28.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 108.257 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' HIS . . . . . 0.662 ' CD2' ' CE2' ' A' ' 28' ' ' TYR . 27.1 t-80 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.657 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.9 m . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.522 HG22 ' HE3' ' A' ' 15' ' ' LYS . 1.2 m -129.55 139.37 51.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.747 ' CG ' ' CE1' ' A' ' 129' ' ' HIS . 56.2 t80 -75.45 95.5 3.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.522 ' HE3' HG22 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -65.11 115.36 5.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.247 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -97.55 165.33 22.37 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.429 1.081 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.431 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.3 Cg_endo -75.0 -16.17 20.35 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.539 1.81 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.56 ' HA ' HG23 ' A' ' 47' ' ' THR . 3.4 mt -125.25 -73.07 0.64 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.501 ' HB2' ' HB1' ' A' ' 100' ' ' ALA . 0.0 OUTLIER -110.44 134.44 52.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.347 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.908 ' CE1' HG11 ' A' ' 46' ' ' VAL . 0.7 OUTLIER -82.72 154.99 24.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 109.591 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.481 HD12 ' CG2' ' A' ' 98' ' ' ILE . 1.6 mm -124.4 140.1 48.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.515 ' O ' HG23 ' A' ' 41' ' ' ILE . 0.3 OUTLIER -150.99 130.27 6.49 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.048 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.469 ' C ' ' HA ' ' A' ' 22' ' ' SER . 18.5 Cg_endo -75.0 178.69 33.58 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 120.979 -2.509 . . . . 0.0 111.029 0.006 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.31 -99.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.432 ' O ' ' CZ ' ' A' ' 132' ' ' ARG . 3.9 pm0 -128.52 61.21 1.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.282 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.406 ' O ' ' HG2' ' A' ' 23' ' ' PRO . 0.0 OUTLIER -162.65 103.81 1.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 110.308 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.884 ' HG ' HD22 ' A' ' 131' ' ' LEU . 27.8 mt -101.01 141.07 34.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.551 ' CE1' ' HB3' ' A' ' 134' ' ' HIS . 1.4 m-85 -130.95 91.97 3.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 111.015 179.991 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.5 mttm . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.42 144.56 40.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.572 ' OG1' HD22 ' A' ' 27' ' ' LEU . 6.6 t -107.13 129.17 54.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.38 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.629 HD12 ' N ' ' A' ' 41' ' ' ILE . 2.6 tp -111.51 119.15 37.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.798 HD13 HD11 ' A' ' 98' ' ' ILE . 36.7 mt -90.78 146.79 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 t -116.93 127.64 74.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.704 ' HB2' HG22 ' A' ' 78' ' ' ILE . 11.6 mt -112.97 106.59 14.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.402 ' HB ' ' HB2' ' A' ' 20' ' ' HIS . 2.8 m -98.16 108.82 21.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 110.394 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -76.3 113.28 13.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.908 HG11 ' CE1' ' A' ' 20' ' ' HIS . 12.7 m -86.95 -39.38 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.56 HG23 ' HA ' ' A' ' 18' ' ' LEU . 1.6 p -52.33 160.25 0.84 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.384 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt -97.07 29.03 3.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.26 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.593 ' O ' HG23 ' A' ' 51' ' ' VAL . 7.1 m-80 -151.61 137.13 17.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 49' ' ' ASN . 17.4 mt -40.14 142.99 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.872 HG22 ' HA ' ' A' ' 102' ' ' GLU . 41.1 t -135.66 109.04 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.843 ' HB2' ' SD ' ' A' ' 103' ' ' MET . . . -69.85 139.36 53.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.623 ' CE2' HG21 ' A' ' 78' ' ' ILE . 16.8 p90 -129.7 162.24 28.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.553 ' HE3' ' CD1' ' A' ' 118' ' ' TRP . 12.0 mttm -146.05 157.18 43.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 1.076 HG21 HG21 ' A' ' 80' ' ' ILE . 57.8 t -129.02 107.05 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 0.0 109.324 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.469 ' O ' ' N ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -118.65 142.06 48.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 110.321 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.44 168.93 18.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.413 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 31.8 p -78.67 2.62 18.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.401 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.554 ' HB1' ' HD3' ' A' ' 62' ' ' LYS . . . -154.29 75.2 5.95 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.426 1.079 . . . . 0.0 109.343 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -3.93 14.64 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.535 1.808 . . . . 0.0 110.99 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -108.3 26.72 10.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 110.277 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.554 ' HD3' ' HB1' ' A' ' 59' ' ' ALA . 14.6 mtpt -138.82 -46.69 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -101.51 134.48 44.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.07 102.59 14.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 110.355 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.475 ' CG2' ' HB3' ' A' ' 68' ' ' SER . 0.6 OUTLIER -104.32 119.21 52.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.453 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.0 OUTLIER -153.4 128.75 4.99 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.722 ' O ' HG23 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -74.99 152.66 98.49 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 121.023 -2.49 . . . . 0.0 111.024 -0.035 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.475 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 42.9 p -112.36 -14.22 13.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.022 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.455 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 1.2 p-10 -145.91 87.53 1.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.344 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.583 ' HB2' ' CZ ' ' A' ' 53' ' ' PHE . 2.3 m -155.86 -164.94 1.83 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 0.0 110.012 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.472 ' HG ' ' C ' ' A' ' 51' ' ' VAL . 2.8 t -140.26 171.69 13.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.958 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.479 ' HB3' HD21 ' A' ' 19' ' ' LEU . 39.1 t -134.84 115.99 14.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 108.31 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.87 162.66 0.36 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 133.45 16.65 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.518 1.799 . . . . 0.0 111.033 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.09 8.91 87.21 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -118.67 -178.74 3.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 0.748 . . . . 0.0 109.259 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.474 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 2.8 p -146.11 137.29 24.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.986 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.704 HG22 ' HB2' ' A' ' 43' ' ' LEU . 2.1 tt -105.19 166.41 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.628 ' HB2' HD11 ' A' ' 40' ' ' LEU . 2.7 p30 -121.18 117.18 26.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 1.076 HG21 HG21 ' A' ' 55' ' ' VAL . 6.2 mm -108.19 95.15 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.412 ' N ' HD13 ' A' ' 40' ' ' LEU . 3.3 mp -71.62 144.87 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.693 HG11 ' CZ ' ' A' ' 96' ' ' PHE . 55.6 t -139.6 97.24 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.35 136.64 24.08 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.97 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 173.9 13.72 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.519 1.799 . . . . 0.0 110.948 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.619 -179.98 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 75.0 t -92.4 129.08 43.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.7 t -134.23 174.66 10.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.024 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -92.51 37.3 1.0 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -112.22 -31.63 6.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -85.69 150.0 24.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 96' ' ' PHE . 0.0 OUTLIER -134.18 143.58 47.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.251 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.693 ' CZ ' HG11 ' A' ' 82' ' ' VAL . 10.7 m-85 -107.71 154.12 21.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 111.043 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 56' ' ' ARG . 3.2 tm? -139.65 126.03 20.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.798 HD11 HD13 ' A' ' 41' ' ' ILE . 3.0 mt -117.4 123.42 71.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.716 ' HE3' ' CZ3' ' A' ' 118' ' ' TRP . 24.6 mtm -102.83 153.7 19.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 111.017 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.615 ' C ' HG23 ' A' ' 126' ' ' VAL . . . -155.56 118.59 4.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.351 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.785 ' HB2' ' HB ' ' A' ' 126' ' ' VAL . . . -129.16 135.89 49.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.872 ' HA ' HG22 ' A' ' 51' ' ' VAL . 1.3 tt0 -70.34 119.72 14.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 110.247 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.843 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 4.3 mtp -86.71 171.11 11.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -79.79 -143.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.74 -166.94 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.2 m -53.48 113.6 1.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.987 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.1 m -134.33 142.26 47.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.039 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.43 ' N ' ' OE1' ' A' ' 113' ' ' GLU . . . -58.45 -171.61 0.31 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.501 1.125 . . . . 0.0 110.997 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.718 ' HA ' HD21 ' A' ' 114' ' ' LEU . 36.8 p -148.27 33.32 0.81 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.477 0.751 . . . . 0.0 110.381 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.898 ' O ' HD23 ' A' ' 114' ' ' LEU . . . -78.11 -169.93 35.26 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.533 1.146 . . . . 0.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -20.09 17.19 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.567 1.825 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.477 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -92.66 -65.15 1.02 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.477 ' C ' ' O ' ' A' ' 112' ' ' ALA . 2.1 mm-40 -33.09 -43.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.898 HD23 ' O ' ' A' ' 110' ' ' GLY . 3.8 mm? -70.58 -69.89 0.33 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 114' ' ' LEU . 1.8 t -34.75 -37.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 114' ' ' LEU . 1.0 OUTLIER -70.99 -56.98 5.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.243 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.84 ' O ' HG12 ' A' ' 121' ' ' VAL . 70.6 t80 -57.89 -26.35 62.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' TRP . . . . . 0.813 ' CZ3' HG21 ' A' ' 126' ' ' VAL . 89.9 m95 -81.78 -16.07 52.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 107.991 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.443 ' HD3' ' CG ' ' A' ' 120' ' ' GLU . 0.0 OUTLIER -88.88 -20.67 24.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.443 ' CG ' ' HD3' ' A' ' 119' ' ' LYS . 4.8 mt-10 -99.88 -47.26 5.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.84 HG12 ' O ' ' A' ' 117' ' ' PHE . 7.3 p -69.64 125.38 91.94 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.57 ' O ' HG12 ' A' ' 126' ' ' VAL . 18.3 Cg_endo -75.01 177.11 9.03 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.535 1.808 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.455 ' C ' ' CD ' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -88.49 0.26 56.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.342 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -103.45 -5.23 23.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.548 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 35.4 mmtt -107.46 -29.62 9.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.813 HG21 ' CZ3' ' A' ' 118' ' ' TRP . 6.0 p -89.19 144.3 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' MET . . . . . 0.473 ' O ' ' HA ' ' A' ' 99' ' ' MET . 43.0 ttp -85.64 139.67 31.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -118.02 126.36 52.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.323 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' HIS . . . . . 0.747 ' CE1' ' CG ' ' A' ' 14' ' ' PHE . 62.7 t60 -135.26 118.43 16.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.595 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.417 ' HA ' ' O ' ' A' ' 96' ' ' PHE . 0.1 OUTLIER -93.58 131.87 38.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.884 HD22 ' HG ' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -108.81 144.05 37.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.26 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.432 ' CZ ' ' O ' ' A' ' 25' ' ' GLU . 8.0 ptt-85 -124.64 148.32 48.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.335 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 15.0 p -91.87 146.17 23.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 108.32 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' HIS . . . . . 0.551 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.629 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.8 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.739 HG13 ' O ' ' A' ' 21' ' ' ILE . 48.1 t -132.77 123.62 49.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.515 ' CG ' ' NE2' ' A' ' 129' ' ' HIS . 77.0 t80 -73.64 95.57 2.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.61 ' HD3' ' CD2' ' A' ' 20' ' ' HIS . 21.0 mmtp -63.34 110.97 2.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.49 157.31 21.84 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.465 1.103 . . . . 0.0 110.955 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.404 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.3 Cg_endo -75.01 -15.28 20.8 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.784 . . . . 0.0 111.018 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.505 ' HA ' ' CG2' ' A' ' 47' ' ' THR . 6.7 mt -124.66 -72.28 0.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.581 HD23 ' CG1' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -113.21 134.04 54.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.326 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.68 ' CE1' HG11 ' A' ' 46' ' ' VAL . 0.3 OUTLIER -81.23 157.35 25.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.604 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.739 ' O ' HG13 ' A' ' 13' ' ' VAL . 1.7 mm -124.62 139.65 50.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.457 ' O ' HG23 ' A' ' 41' ' ' ILE . 5.3 t -152.25 126.66 4.54 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.006 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.434 ' C ' ' HA ' ' A' ' 22' ' ' SER . 18.4 Cg_endo -74.94 -177.32 20.13 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.02 -2.492 . . . . 0.0 111.025 -0.051 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.44 -98.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -126.69 58.1 1.42 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -163.16 103.69 0.98 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 1.012 HD22 HD22 ' A' ' 131' ' ' LEU . 0.1 OUTLIER -86.11 144.43 27.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -132.09 92.17 3.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 111.042 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.572 ' CE2' HG22 ' A' ' 39' ' ' THR . 95.7 m-85 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 111.026 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.7 mtmm . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.29 142.85 44.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.69 ' OG1' HD12 ' A' ' 27' ' ' LEU . 9.4 t -105.4 144.01 32.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.392 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.651 HD12 ' N ' ' A' ' 41' ' ' ILE . 2.5 tp -121.4 120.61 35.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.651 ' N ' HD12 ' A' ' 40' ' ' LEU . 32.8 mt -89.25 153.44 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 t -124.56 129.52 73.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.75 ' HB2' HG22 ' A' ' 78' ' ' ILE . 10.4 mt -116.32 103.89 10.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.406 ' HB ' ' HB2' ' A' ' 20' ' ' HIS . 1.0 OUTLIER -91.67 110.14 21.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 0.0 110.373 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 72' ' ' CYS . 18.3 t-20 -72.77 119.41 16.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.68 HG11 ' CE1' ' A' ' 20' ' ' HIS . 8.7 m -114.51 39.43 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.505 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 1.8 p -127.61 158.73 36.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.178 . . . . 0.0 110.388 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.66 27.52 2.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.504 ' O ' HG23 ' A' ' 51' ' ' VAL . 8.2 m-80 -159.35 135.48 8.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.428 ' C ' ' O ' ' A' ' 49' ' ' ASN . 13.0 mt -37.68 140.99 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.581 ' CG1' HD23 ' A' ' 19' ' ' LEU . 71.0 t -127.3 119.52 52.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.803 ' HB1' ' CD1' ' A' ' 114' ' ' LEU . . . -84.54 131.0 34.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.835 ' HE2' HD13 ' A' ' 78' ' ' ILE . 10.3 p90 -120.61 159.74 24.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.512 ' HD2' ' CE2' ' A' ' 118' ' ' TRP . 4.2 mttm -147.2 143.2 28.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 1.089 HG21 HG21 ' A' ' 80' ' ' ILE . 95.7 t -114.63 117.0 54.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -122.31 168.69 11.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.401 ' OG1' ' N ' ' A' ' 58' ' ' THR . 1.7 t -168.2 172.02 8.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.391 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.401 ' N ' ' OG1' ' A' ' 57' ' ' THR . 10.9 p -84.44 8.82 15.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.376 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.4 ' HB1' ' HB2' ' A' ' 62' ' ' LYS . . . -154.21 76.28 5.77 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.258 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -1.6 11.44 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.481 1.779 . . . . 0.0 111.041 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -119.61 30.16 7.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.34 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.47 ' O ' ' HA ' ' A' ' 84' ' ' PRO . 18.3 mttt -137.28 -46.37 0.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -102.1 127.82 48.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 111.033 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.503 ' CB ' ' O ' ' A' ' 83' ' ' SER . 5.0 ttt180 -85.87 93.65 8.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 110.321 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 0.7 OUTLIER -99.05 116.09 41.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.446 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.2 OUTLIER -152.78 127.85 4.82 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 109.243 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.838 ' O ' HG23 ' A' ' 80' ' ' ILE . 18.2 Cg_endo -74.99 154.39 99.67 Favored 'Cis proline' 0 C--N 1.361 1.19 0 C-N-CA 121.023 -2.491 . . . . 0.0 110.976 -0.041 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.475 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 39.6 p -112.33 -18.69 12.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.002 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 39.4 p-10 -142.07 90.64 2.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.453 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -156.86 -167.85 2.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.005 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.564 ' OG ' HG22 ' A' ' 109' ' ' THR . 0.7 OUTLIER -138.84 172.62 12.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 110.02 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.457 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 44.3 t -134.87 120.6 19.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 108.313 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.6 160.17 0.62 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 119.29 5.59 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.534 1.808 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.92 22.31 23.52 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.448 1.092 . . . . 0.0 111.043 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -137.41 -178.38 5.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 0.785 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.485 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 3.2 p -142.6 141.15 31.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.019 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.835 HD13 ' HE2' ' A' ' 53' ' ' PHE . 1.3 tt -104.53 162.44 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.365 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.604 ' HB3' HD11 ' A' ' 40' ' ' LEU . 12.9 m-20 -118.3 117.65 29.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 1.089 HG21 HG21 ' A' ' 55' ' ' VAL . 6.0 mm -110.09 97.17 5.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.405 ' N ' HD13 ' A' ' 40' ' ' LEU . 3.2 mp -72.44 144.59 12.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.569 HG11 ' CZ ' ' A' ' 96' ' ' PHE . 97.0 t -135.73 97.92 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.503 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -126.06 119.94 23.86 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.032 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.47 ' HA ' ' O ' ' A' ' 62' ' ' LYS . 18.5 Cg_endo -74.94 173.82 13.83 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.492 1.785 . . . . 0.0 111.038 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.595 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 69.2 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.403 ' O ' ' O ' ' A' ' 91' ' ' SER . 1.0 OUTLIER -112.76 -3.88 10.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 90' ' ' VAL . 3.7 m 41.32 -162.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.009 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -150.64 24.71 0.77 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -106.1 -33.69 7.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.327 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.17 171.47 10.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.137 . . . . 0.0 109.339 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -144.51 160.83 40.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.569 ' CZ ' HG11 ' A' ' 82' ' ' VAL . 14.5 m-85 -120.67 151.81 39.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.107 . . . . 0.0 111.024 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.46 HD12 ' H ' ' A' ' 98' ' ' ILE . 25.2 tp -134.84 136.71 42.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.787 ' CD1' HD12 ' A' ' 131' ' ' LEU . 3.2 mt -127.88 121.86 57.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.742 ' HE3' ' CZ3' ' A' ' 118' ' ' TRP . 28.7 mtm -101.71 157.9 16.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.56 ' C ' HG23 ' A' ' 126' ' ' VAL . . . -161.23 119.19 2.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.794 ' HB2' ' HB ' ' A' ' 126' ' ' VAL . . . -128.09 141.99 51.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.412 ' HA ' HG22 ' A' ' 51' ' ' VAL . 1.5 tt0 -69.9 112.6 6.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.583 ' HG2' ' CZ ' ' A' ' 117' ' ' PHE . 0.0 OUTLIER -87.02 172.32 10.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.981 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' A' ' 103' ' ' MET . 2.0 mt-10 -60.59 -143.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 110.302 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -97.09 -78.92 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.72 107.88 20.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 109.981 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 27.0 m -154.64 130.33 9.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.968 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.44 152.75 44.28 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.537 1.148 . . . . 0.0 110.984 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.635 ' HA ' ' CD2' ' A' ' 114' ' ' LEU . 38.9 p -103.65 19.36 20.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 0.752 . . . . 0.0 110.386 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.736 ' O ' HD23 ' A' ' 114' ' ' LEU . . . -56.09 -179.77 0.42 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -16.11 20.35 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.473 1.775 . . . . 0.0 110.969 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.456 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -92.77 -64.8 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 112' ' ' ALA . 17.0 mp0 -34.09 -53.73 0.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.803 ' CD1' ' HB1' ' A' ' 52' ' ' ALA . 4.6 mm? -55.17 -69.18 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.458 ' C ' ' O ' ' A' ' 114' ' ' LEU . 0.1 OUTLIER -34.06 -44.27 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 110.013 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.408 ' O ' ' HD2' ' A' ' 119' ' ' LYS . 8.2 mm-40 -61.74 -59.63 4.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.154 . . . . 0.0 110.254 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.858 ' O ' HG12 ' A' ' 121' ' ' VAL . 51.3 t80 -56.05 -31.53 63.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' TRP . . . . . 0.856 ' CZ3' HG21 ' A' ' 126' ' ' VAL . 90.6 m95 -76.39 -15.89 59.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 107.997 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.434 ' HD3' ' CG ' ' A' ' 120' ' ' GLU . 0.2 OUTLIER -90.77 -18.18 25.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.434 ' CG ' ' HD3' ' A' ' 119' ' ' LYS . 4.2 mt-10 -103.95 -46.32 4.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.858 HG12 ' O ' ' A' ' 117' ' ' PHE . 8.9 p -69.59 121.94 84.07 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.59 ' O ' HG12 ' A' ' 126' ' ' VAL . 18.2 Cg_endo -75.08 165.9 30.24 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.464 1.77 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.48 ' HA ' ' CG1' ' A' ' 126' ' ' VAL . 0.0 OUTLIER -76.99 0.92 19.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -102.44 -7.73 21.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.534 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 31.1 mmtt -107.73 -25.68 11.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.856 HG21 ' CZ3' ' A' ' 118' ' ' TRP . 4.8 p -92.87 143.44 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' MET . . . . . 0.433 ' HG2' ' N ' ' A' ' 128' ' ' GLU . 50.7 ttp -82.26 149.1 28.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.991 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.433 ' N ' ' HG2' ' A' ' 127' ' ' MET . 63.0 mt-10 -128.84 126.13 39.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 110.315 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' HIS . . . . . 0.515 ' NE2' ' CG ' ' A' ' 14' ' ' PHE . 29.6 t-80 -135.99 122.3 20.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.587 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.94 139.62 30.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.325 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 1.012 HD22 HD22 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -117.09 150.64 38.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.263 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.5 159.96 38.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.309 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 9.2 t -87.25 158.29 19.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 108.304 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.596 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.443 HG22 ' CE ' ' A' ' 15' ' ' LYS . 0.9 OUTLIER -129.16 147.39 33.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.74 ' CG ' ' CE1' ' A' ' 129' ' ' HIS . 19.3 t80 -76.33 96.07 3.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.443 ' CE ' HG22 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -51.39 94.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 14' ' ' PHE . . . -76.91 152.47 40.58 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.468 1.105 . . . . 0.0 110.961 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -18.23 18.93 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.479 1.779 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.424 ' HA ' ' CG2' ' A' ' 47' ' ' THR . 0.4 OUTLIER -131.91 -57.77 0.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.579 HD22 ' OD1' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -120.03 131.7 55.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.584 ' CE1' HG11 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -78.49 156.5 29.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.621 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.525 HD12 ' CG2' ' A' ' 98' ' ' ILE . 2.4 mm -126.84 121.9 59.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.464 ' O ' ' HA ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -131.05 125.76 21.29 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.994 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.42 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 18.2 Cg_endo -75.06 -172.77 11.25 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.979 -2.509 . . . . 0.0 110.958 0.031 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.79 -68.35 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.86 ' HA ' HD23 ' A' ' 131' ' ' LEU . 2.6 pm0 -156.58 58.6 0.55 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.268 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.456 ' CG ' ' C ' ' A' ' 25' ' ' GLU . 2.1 mt-10 -155.03 103.35 2.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 1.043 HD22 HD22 ' A' ' 131' ' ' LEU . 0.2 OUTLIER -100.64 109.04 21.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -88.88 91.8 8.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.516 ' CE2' ' HB3' ' A' ' 27' ' ' LEU . 70.0 m-85 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 111.052 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.5 mttt . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.498 ' HG2' ' N ' ' A' ' 39' ' ' THR . 0.3 OUTLIER -124.34 141.88 51.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.317 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.569 ' OG1' HD12 ' A' ' 27' ' ' LEU . 1.3 t -110.65 160.96 16.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 110.379 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.689 HD12 ' N ' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -131.49 123.11 27.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.549 1.156 . . . . 0.0 109.285 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.689 ' N ' HD12 ' A' ' 40' ' ' LEU . 10.2 mt -91.16 156.8 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.7 t -129.24 126.18 63.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.839 ' HB2' HG22 ' A' ' 78' ' ' ILE . 23.5 mt -112.5 102.19 10.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.402 ' O ' ' HB2' ' A' ' 20' ' ' HIS . 0.9 OUTLIER -92.4 108.11 19.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 110.447 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.579 ' OD1' HD22 ' A' ' 19' ' ' LEU . 34.8 t30 -74.14 106.13 5.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.584 HG11 ' CE1' ' A' ' 20' ' ' HIS . 10.8 m -97.92 37.83 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.424 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 1.1 p -124.12 163.82 20.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.425 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -97.81 24.92 6.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 109.269 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.549 ' O ' HG23 ' A' ' 51' ' ' VAL . 3.9 m-80 -157.02 137.06 12.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.554 HD12 ' HB2' ' A' ' 107' ' ' SER . 56.1 mt -40.09 148.28 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.851 HG22 ' HA ' ' A' ' 102' ' ' GLU . 53.7 t -138.4 118.23 14.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.681 ' HB3' ' HE2' ' A' ' 117' ' ' PHE . . . -80.88 132.73 35.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.936 ' CE2' HG21 ' A' ' 78' ' ' ILE . 6.9 p90 -122.64 154.92 37.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.423 ' HD2' ' CD2' ' A' ' 118' ' ' TRP . 6.7 mttm -139.23 147.21 41.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.087 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.985 HG21 HG21 ' A' ' 80' ' ' ILE . 96.3 t -113.82 107.08 22.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 97' ' ' LEU . 1.1 tmt_? -110.17 155.85 21.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.292 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.48 HG23 ' H ' ' A' ' 59' ' ' ALA . 5.0 t -158.58 169.74 23.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.385 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.4 p -87.73 21.58 2.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.413 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.48 ' H ' HG23 ' A' ' 57' ' ' THR . . . -168.23 75.23 0.87 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -5.27 16.59 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.521 1.8 . . . . 0.0 111.003 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -118.28 35.88 4.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.287 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.48 ' HB2' ' HB1' ' A' ' 59' ' ' ALA . 15.9 mtpt -145.69 -44.82 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.627 ' HE1' HG12 ' A' ' 90' ' ' VAL . 90.3 m-85 -101.21 134.02 44.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.81 101.7 14.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.256 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 0.7 OUTLIER -112.09 115.27 49.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 67' ' ' PRO . 0.0 OUTLIER -149.87 125.62 5.01 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.822 ' HD2' HD13 ' A' ' 80' ' ' ILE . 18.4 Cg_endo -75.04 157.85 99.32 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 120.999 -2.501 . . . . 0.0 111.04 0.051 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.474 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 54.6 p -112.84 -10.85 13.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.988 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -157.4 85.24 0.92 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -141.56 -163.6 1.6 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 110.022 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.477 ' OG ' HG23 ' A' ' 50' ' ' ILE . 11.8 t -138.09 170.54 15.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.007 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 43.7 t -140.41 118.58 11.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 108.331 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.59 164.52 1.1 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 136.8 20.86 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.483 1.781 . . . . 0.0 111.005 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.01 23.52 71.59 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.48 1.113 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -138.64 -179.07 5.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.765 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.487 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 3.9 p -145.21 143.88 30.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.963 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.936 HG21 ' CE2' ' A' ' 53' ' ' PHE . 1.3 tt -105.15 165.6 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.433 ' HB2' HD11 ' A' ' 40' ' ' LEU . 15.0 p-10 -116.84 123.45 47.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.985 HG21 HG21 ' A' ' 55' ' ' VAL . 2.8 mm -120.52 106.26 18.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.162 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.456 HG23 ' CD ' ' A' ' 38' ' ' LYS . 2.6 mp -81.52 148.56 5.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.517 ' HB ' HG23 ' A' ' 39' ' ' THR . 80.1 t -140.12 96.95 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -114.9 118.72 40.32 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.025 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.469 ' HG3' ' CG1' ' A' ' 90' ' ' VAL . 18.3 Cg_endo -75.02 153.97 42.06 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.478 1.778 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 109.622 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.453 ' OG1' ' N ' ' A' ' 90' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.627 HG12 ' HE1' ' A' ' 63' ' ' TYR . 5.9 m -76.15 -2.18 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.447 ' O ' ' HB2' ' A' ' 92' ' ' ALA . 0.9 OUTLIER 52.69 -89.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 109.979 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 90' ' ' VAL . . . 177.58 -40.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -68.07 -28.23 67.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.319 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.46 ' CB ' ' OH ' ' A' ' 63' ' ' TYR . 7.0 p-10 -41.35 144.86 0.29 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.105 . . . . 0.0 109.338 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 19.4 mmm-85 -140.42 144.99 36.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.511 ' CZ ' ' CG1' ' A' ' 82' ' ' VAL . 22.1 m-85 -119.65 154.19 34.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.603 HD12 ' H ' ' A' ' 98' ' ' ILE . 42.9 tp -133.57 148.06 51.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.344 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.888 ' CD1' HD12 ' A' ' 131' ' ' LEU . 3.1 mt -138.25 123.05 22.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.601 ' CE ' ' CZ3' ' A' ' 118' ' ' TRP . 7.6 mtp -99.1 154.98 17.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 111.05 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.456 ' HB1' ' HB2' ' A' ' 19' ' ' LEU . . . -159.48 116.62 2.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.261 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.794 ' HB2' HG23 ' A' ' 126' ' ' VAL . . . -130.68 133.17 45.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.851 ' HA ' HG22 ' A' ' 51' ' ' VAL . 1.2 tt0 -69.83 120.38 15.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 110.321 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.587 ' HG2' ' CE1' ' A' ' 117' ' ' PHE . 0.0 OUTLIER -89.17 172.65 8.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 111.041 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -72.71 -169.88 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 110.317 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -67.92 -42.08 81.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.32 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.47 115.66 27.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.975 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.554 ' HB2' HD12 ' A' ' 50' ' ' ILE . 22.2 m -136.48 106.94 6.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.039 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -72.07 -9.04 70.9 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 66.6 p 39.9 51.25 2.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 0.752 . . . . 0.0 110.419 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -117.35 -170.77 15.36 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.495 1.122 . . . . 0.0 111.029 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -21.13 16.27 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.481 1.779 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -91.78 -69.31 0.75 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 109.263 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 112' ' ' ALA . 2.1 mm-40 -38.44 -46.24 1.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 118' ' ' TRP . 87.1 mt -62.8 -60.61 3.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.536 ' O ' ' CG ' ' A' ' 119' ' ' LYS . 0.4 OUTLIER -53.14 -26.95 18.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.041 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.521 ' HA ' ' CG ' ' A' ' 119' ' ' LYS . 1.1 tt0 -82.98 -35.19 26.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.685 ' O ' HG12 ' A' ' 121' ' ' VAL . 12.1 t80 -83.24 -22.9 32.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 111.006 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' TRP . . . . . 0.888 ' CZ3' HG21 ' A' ' 126' ' ' VAL . 62.4 m95 -87.6 -27.07 22.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 108.034 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.536 ' CG ' ' O ' ' A' ' 115' ' ' SER . 0.0 OUTLIER -82.99 -22.43 33.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -94.27 -42.91 8.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.318 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.685 HG12 ' O ' ' A' ' 117' ' ' PHE . 7.9 p -69.59 122.62 86.34 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.657 ' O ' HG12 ' A' ' 126' ' ' VAL . 18.3 Cg_endo -74.96 -173.08 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.518 1.799 . . . . 0.0 111.016 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.524 ' HA ' HG12 ' A' ' 126' ' ' VAL . 0.0 OUTLIER -93.22 0.83 57.21 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ASN . . . . . 0.444 ' N ' ' HD2' ' A' ' 123' ' ' ARG . 2.4 t-20 -102.32 -13.57 17.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.523 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 27.5 mmtt -102.7 -28.98 11.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.888 HG21 ' CZ3' ' A' ' 118' ' ' TRP . 14.8 p -92.19 137.96 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' MET . . . . . 0.411 ' C ' ' SD ' ' A' ' 127' ' ' MET . 19.1 tmm? -85.43 137.13 33.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 111.058 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.429 ' HB3' HD11 ' A' ' 97' ' ' LEU . 62.5 mt-10 -119.26 128.66 54.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' HIS . . . . . 0.74 ' CE1' ' CG ' ' A' ' 14' ' ' PHE . 63.0 t60 -131.89 123.03 26.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.59 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -93.83 136.28 34.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.278 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 1.043 HD22 HD22 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -111.61 158.69 18.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.258 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -140.81 156.1 46.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 26.5 p -81.49 157.72 24.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 108.278 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 51.0 t60 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.606 179.974 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.1 t -113.14 133.02 55.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 0.752 . . . . 0.0 109.998 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.2 m -162.03 165.89 26.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.012 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.77 -139.78 2.74 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.453 1.096 . . . . 0.0 110.966 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.5 p -176.02 151.07 1.04 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 0.764 . . . . 0.0 109.968 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 65.94 165.38 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.992 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.86 -124.6 2.29 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.98 162.14 5.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.411 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 0.4 OUTLIER -160.92 146.39 10.97 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 9' ' ' LYS . 18.1 Cg_endo -75.01 159.98 40.66 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.553 1.817 . . . . 0.0 110.971 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.92 119.67 34.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.9 m -124.34 151.97 43.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.959 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.565 HG22 ' HE3' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -130.48 147.82 33.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.578 ' CB ' ' CE1' ' A' ' 129' ' ' HIS . 26.5 t80 -74.65 95.62 2.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.983 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.565 ' HE3' HG22 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -58.28 92.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.5 153.26 30.02 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.423 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.3 Cg_endo -75.03 -17.79 19.18 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.516 1.798 . . . . 0.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.535 ' HA ' HG23 ' A' ' 47' ' ' THR . 7.1 mt -120.18 -75.82 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.643 ' HB2' HG11 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -111.54 132.87 54.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.319 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.768 ' CE1' HG11 ' A' ' 46' ' ' VAL . 0.3 OUTLIER -80.25 155.87 27.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.616 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.614 HD13 HD22 ' A' ' 43' ' ' LEU . 1.4 mm -125.91 126.7 70.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.579 ' O ' HG23 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -134.11 126.05 18.36 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.989 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.463 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 18.3 Cg_endo -75.04 -173.42 12.32 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 121.005 -2.498 . . . . 0.0 111.005 0.015 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.75 -81.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.731 ' HA ' HD23 ' A' ' 131' ' ' LEU . 22.0 mt-10 -143.33 64.23 1.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -162.68 104.6 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.326 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.531 ' HG ' HD22 ' A' ' 131' ' ' LEU . 32.1 mt -102.99 135.5 44.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.319 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.497 ' CE1' ' HB3' ' A' ' 134' ' ' HIS . 1.6 m-85 -130.26 93.19 3.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.584 ' CB ' HG21 ' A' ' 90' ' ' VAL . 56.6 m-85 -76.09 84.56 2.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.955 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 161.49 108.21 0.23 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.477 1.111 . . . . 0.0 111.036 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.63 162.62 13.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.415 0.715 . . . . 0.0 110.02 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.4 tt -54.07 -31.09 20.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -71.18 149.68 46.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 110.302 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.2 m -92.71 30.75 1.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.951 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -92.44 -108.7 1.74 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -100.5 157.95 16.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.427 0.722 . . . . 0.0 110.288 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -115.73 63.24 0.69 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 109.31 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.42 ' HE2' ' CG1' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -115.09 143.15 45.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.502 HG21 HD22 ' A' ' 27' ' ' LEU . 14.0 t -100.67 143.88 30.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.398 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.57 HD12 ' N ' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -117.24 120.32 37.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.579 HG23 ' O ' ' A' ' 22' ' ' SER . 12.0 mt -90.68 147.63 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.9 t -120.52 131.97 71.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.848 ' HB2' HG22 ' A' ' 78' ' ' ILE . 18.6 mt -121.35 110.6 16.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.402 ' HB ' ' HB2' ' A' ' 20' ' ' HIS . 2.7 m -101.17 108.49 20.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.399 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.415 ' OD1' HG21 ' A' ' 51' ' ' VAL . 48.8 t30 -75.89 97.73 4.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.768 HG11 ' CE1' ' A' ' 20' ' ' HIS . 27.1 m -69.11 -43.67 81.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.535 HG23 ' HA ' ' A' ' 18' ' ' LEU . 7.5 p -49.02 163.11 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.405 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.25 14.95 29.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.416 ' HB2' ' CD ' ' A' ' 102' ' ' GLU . 77.6 m-20 -130.3 161.29 31.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.7 mt -61.52 145.62 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.643 HG11 ' HB2' ' A' ' 19' ' ' LEU . 80.2 t -135.16 118.12 23.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.785 ' HB3' ' CE2' ' A' ' 117' ' ' PHE . . . -83.65 115.91 22.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.667 ' CE1' HD13 ' A' ' 78' ' ' ILE . 33.4 p90 -111.11 153.52 25.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.507 ' HD2' ' CE2' ' A' ' 118' ' ' TRP . 9.8 mttt -144.3 138.27 27.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 1.014 HG21 HG21 ' A' ' 80' ' ' ILE . 98.7 t -105.56 130.56 56.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.443 ' NH1' ' SD ' ' A' ' 99' ' ' MET . 4.4 mtt180 -132.43 172.5 12.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.4 t -168.85 161.4 10.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.401 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.4 p -72.53 -9.23 58.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.39 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.652 ' HB1' ' HD3' ' A' ' 62' ' ' LYS . . . -149.48 74.42 9.67 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -18.56 18.75 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -88.25 11.79 15.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.312 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.652 ' HD3' ' HB1' ' A' ' 59' ' ' ALA . 4.7 mtpp -123.49 -43.1 2.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -102.74 130.61 49.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -84.87 102.08 12.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.282 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.457 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 0.7 OUTLIER -108.07 118.93 56.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.519 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.4 OUTLIER -158.71 133.37 5.43 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.659 ' HD2' HD13 ' A' ' 80' ' ' ILE . 18.6 Cg_endo -74.93 146.11 85.77 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 120.995 -2.502 . . . . 0.0 111.056 -0.097 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.452 ' CB ' HG23 ' A' ' 65' ' ' VAL . 6.2 p -111.83 -7.8 14.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.993 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -147.16 98.53 3.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.107 . . . . 0.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.55 -171.02 0.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.005 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.0 t -130.43 170.83 13.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.41 1.069 . . . . 0.0 110.003 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.608 ' HB3' HD21 ' A' ' 19' ' ' LEU . 53.5 t -134.67 115.15 13.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 108.279 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -53.8 160.38 2.15 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.406 ' HB3' ' N ' ' A' ' 49' ' ' ASN . 18.5 Cg_endo -74.94 124.94 9.02 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.512 1.796 . . . . 0.0 111.052 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.01 29.21 26.37 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.477 1.111 . . . . 0.0 110.981 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -142.1 153.89 44.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 109.276 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.419 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 2.7 p -114.48 138.87 50.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.001 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.848 HG22 ' HB2' ' A' ' 43' ' ' LEU . 1.0 OUTLIER -104.86 171.11 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.448 ' O ' HD13 ' A' ' 80' ' ' ILE . 7.0 m-20 -131.18 124.08 29.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 1.014 HG21 HG21 ' A' ' 55' ' ' VAL . 5.0 mm -118.67 111.43 33.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.468 HD12 HD13 ' A' ' 40' ' ' LEU . 2.0 mp -82.4 145.53 8.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.534 HG11 ' CZ ' ' A' ' 96' ' ' PHE . 80.3 t -139.45 97.9 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.3 t -118.33 130.6 24.66 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.024 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 170.01 21.35 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.495 1.787 . . . . 0.0 111.02 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -56.9 154.91 8.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.592 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -87.17 44.8 3.33 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.457 1.098 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -154.61 -53.37 0.01 OUTLIER Glycine 0 CA--C 1.529 0.958 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.533 HD12 ' N ' ' A' ' 89' ' ' THR . 4.6 pp -79.48 -165.09 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 0.732 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.533 ' N ' HD12 ' A' ' 88' ' ' LEU . 0.8 OUTLIER -140.77 171.59 13.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.396 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.584 HG21 ' CB ' ' A' ' 29' ' ' PHE . 36.0 t -67.18 122.01 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.15 -162.82 0.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.035 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -119.68 -41.8 2.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.352 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -69.11 -14.79 63.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 18.9 p-10 -63.85 131.5 47.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 96' ' ' PHE . 4.7 tpp180 -135.32 143.11 45.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 110.298 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.534 ' CZ ' HG11 ' A' ' 82' ' ' VAL . 43.9 m-85 -110.99 151.69 27.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 0.0 111.047 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.759 HD11 ' HB3' ' A' ' 128' ' ' GLU . 33.1 tp -131.41 145.1 51.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.729 ' CD1' HD12 ' A' ' 131' ' ' LEU . 3.1 mt -134.71 123.59 42.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.34 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.443 ' SD ' ' NH1' ' A' ' 56' ' ' ARG . 15.2 mtm -98.47 156.01 16.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 110.965 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -162.42 117.82 1.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.81 ' HB1' HG21 ' A' ' 121' ' ' VAL . . . -135.94 133.44 37.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.468 ' OE2' ' CG2' ' A' ' 51' ' ' VAL . 0.8 OUTLIER -71.6 127.1 31.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.318 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.56 ' HA ' ' CE1' ' A' ' 117' ' ' PHE . 24.8 mtp -87.91 171.88 10.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 111.048 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 103' ' ' MET . 2.8 mt-10 -60.99 -140.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -80.36 -88.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 23.4 m -99.21 105.17 17.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 109.968 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.63 128.51 33.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.989 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -59.86 -171.86 0.57 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.577 1.173 . . . . 0.0 110.999 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 75.3 p -142.1 53.31 1.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 0.741 . . . . 0.0 110.41 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.456 ' O ' HD12 ' A' ' 114' ' ' LEU . . . -111.46 -172.4 19.37 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.458 1.099 . . . . 0.0 110.956 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -14.45 21.24 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -92.52 -72.72 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 112' ' ' ALA . 3.8 mm-40 -38.11 -45.86 0.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.327 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.456 HD12 ' O ' ' A' ' 110' ' ' GLY . 95.7 mt -59.83 -65.69 0.64 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.15 -29.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.002 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.423 ' N ' ' C ' ' A' ' 114' ' ' LEU . 3.0 mm100 -80.14 -53.15 6.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.785 ' CE2' ' HB3' ' A' ' 52' ' ' ALA . 19.7 t80 -57.45 -36.73 71.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 0.0 111.001 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' TRP . . . . . 0.6 ' HZ3' HG22 ' A' ' 126' ' ' VAL . 52.0 m95 -74.3 -9.35 58.51 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.76 -27.29 14.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.403 ' CG ' ' N ' ' A' ' 121' ' ' VAL . 0.4 OUTLIER -91.16 -42.07 10.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.81 HG21 ' HB1' ' A' ' 101' ' ' ALA . 8.3 p -69.21 122.28 84.85 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.477 ' HG2' ' CG ' ' A' ' 125' ' ' LYS . 18.2 Cg_endo -74.98 145.48 31.57 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.489 1.784 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.74 -25.62 4.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -68.13 -28.13 67.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.477 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 34.4 mmtt -92.65 -19.75 21.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.6 HG22 ' HZ3' ' A' ' 118' ' ' TRP . 50.5 t -75.11 111.33 11.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.349 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' MET . . . . . 0.423 ' SD ' ' HD2' ' A' ' 17' ' ' PRO . 33.6 ttp -87.37 113.84 23.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.968 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.759 ' HB3' HD11 ' A' ' 97' ' ' LEU . 19.0 mt-10 -102.16 133.71 46.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.324 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' HIS . . . . . 0.578 ' CE1' ' CB ' ' A' ' 14' ' ' PHE . 6.4 t-80 -129.39 112.03 13.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.647 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.48 ' HG3' HD13 ' A' ' 97' ' ' LEU . 2.6 mtm180 -88.75 131.71 34.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.303 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.731 HD23 ' HA ' ' A' ' 25' ' ' GLU . 0.3 OUTLIER -103.59 163.11 12.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.5 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -123.4 157.26 33.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.328 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 34.2 m -108.91 125.05 51.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 108.319 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.497 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 0.3 OUTLIER -92.37 69.97 5.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.597 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 68.5 p -38.72 125.63 1.45 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.374 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 33.9 m -85.98 131.43 34.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.327 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.34 140.17 12.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 44.27 75.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.036 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 2.3 m -76.48 103.68 6.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.991 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 7.4 mttt 178.2 149.27 0.39 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.166 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 61.4 5.71 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.461 1.769 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 9.5 t30 51.9 90.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.345 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 19.8 t 62.38 141.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 110.026 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.4 tp 50.37 -177.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.46 148.2 50.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -167.7 108.65 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.13 128.97 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.004 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -159.3 94.48 0.13 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.508 1.13 . . . . 0.0 110.974 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -177.57 3.56 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.53 1.805 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 5.0 t -71.32 100.93 2.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.015 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.63 170.49 8.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.041 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.528 1.143 . . . . 0.0 111.003 179.976 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.57 116.15 25.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 0.765 . . . . 0.0 110.008 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.8 m -87.27 -58.97 2.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.007 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.8 -139.73 14.63 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.545 1.153 . . . . 0.0 110.992 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 m -128.13 137.75 52.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 0.727 . . . . 0.0 110.014 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 m -91.08 89.13 7.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.006 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.47 174.84 38.19 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.554 1.159 . . . . 0.0 110.98 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.8 tptt -148.84 111.38 4.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 0.756 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.0 155.2 0.65 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 163.39 35.32 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.481 1.779 . . . . 0.0 111.001 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -150.14 147.15 27.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.7 m -126.35 146.88 49.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.962 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.629 HG22 ' HE3' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -130.75 145.4 35.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.444 1.09 . . . . 0.0 109.317 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.485 ' CG ' ' NE2' ' A' ' 129' ' ' HIS . 24.1 t80 -74.12 96.17 2.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.629 ' HE3' HG22 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -58.84 96.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.88 154.69 25.9 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.507 1.129 . . . . 0.0 111.027 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.451 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.3 Cg_endo -74.98 -20.14 17.21 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.492 1.785 . . . . 0.0 111.02 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.597 ' HA ' HG23 ' A' ' 47' ' ' THR . 5.4 mt -116.84 -76.06 0.57 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.718 HD21 ' HB3' ' A' ' 72' ' ' CYS . 0.0 OUTLIER -113.11 134.59 54.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.635 ' CE1' HG11 ' A' ' 46' ' ' VAL . 0.3 OUTLIER -80.08 155.98 27.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.617 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.68 HD13 ' CD2' ' A' ' 43' ' ' LEU . 1.6 mm -127.44 129.66 70.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.63 ' O ' HG23 ' A' ' 41' ' ' ILE . 2.4 t -140.03 129.18 13.49 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.01 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.447 ' C ' ' HA ' ' A' ' 22' ' ' SER . 18.3 Cg_endo -74.99 -178.24 22.89 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.022 0.046 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.65 -88.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.643 ' HA ' HD23 ' A' ' 131' ' ' LEU . 16.2 mt-10 -135.5 63.36 1.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 23' ' ' PRO . 1.9 pt-20 -163.08 103.17 0.99 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.324 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.55 HD22 ' OG1' ' A' ' 39' ' ' THR . 10.1 mt -101.17 125.33 47.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' A' ' 28' ' ' TYR . 20.5 m-85 -104.33 91.32 3.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.582 ' CD2' HG21 ' A' ' 90' ' ' VAL . 38.8 m-85 -86.33 85.61 7.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 146.75 78.69 0.03 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.522 1.138 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 32' ' ' ILE . 20.8 t -62.14 164.15 7.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 0.775 . . . . 0.0 109.959 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 31' ' ' SER . 2.1 mp -39.84 148.6 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 75.11 -163.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.267 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.5 m -121.65 30.24 6.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.01 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.403 ' O ' ' CB ' ' A' ' 36' ' ' GLU . . . -126.61 115.31 2.21 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.463 1.102 . . . . 0.0 111.042 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.403 ' CB ' ' O ' ' A' ' 35' ' ' GLY . 2.0 tt0 78.67 127.57 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.75 . . . . 0.0 110.34 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -142.54 53.55 1.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.261 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.41 ' HE2' ' CG1' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -111.72 145.89 38.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.55 ' OG1' HD22 ' A' ' 27' ' ' LEU . 13.2 t -109.98 138.73 45.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.406 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.563 HD12 ' N ' ' A' ' 41' ' ' ILE . 0.7 OUTLIER -114.62 118.37 33.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.297 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.63 HG23 ' O ' ' A' ' 22' ' ' SER . 48.8 mt -91.84 147.07 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.2 t -121.13 133.69 66.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.808 ' HB2' HG22 ' A' ' 78' ' ' ILE . 17.6 mt -120.03 110.57 16.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.41 ' HB ' ' HB2' ' A' ' 20' ' ' HIS . 1.0 OUTLIER -100.75 106.5 17.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.402 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -75.38 111.7 10.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.635 HG11 ' CE1' ' A' ' 20' ' ' HIS . 9.3 m -85.22 -38.9 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.597 HG23 ' HA ' ' A' ' 18' ' ' LEU . 1.4 p -51.56 155.81 1.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.385 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.03 28.28 3.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.619 ' O ' HG23 ' A' ' 51' ' ' VAL . 14.5 m-80 -148.64 136.55 20.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 49' ' ' ASN . 22.2 mt -39.39 145.86 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.946 HG22 ' HA ' ' A' ' 102' ' ' GLU . 63.5 t -137.87 130.92 41.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.831 ' HB2' ' SD ' ' A' ' 103' ' ' MET . . . -87.78 124.85 34.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.866 ' CE2' HD13 ' A' ' 78' ' ' ILE . 26.7 p90 -116.26 160.61 20.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.539 ' HD2' ' CD1' ' A' ' 118' ' ' TRP . 4.4 mttm -151.87 158.66 43.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.09 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.913 HG21 HG21 ' A' ' 80' ' ' ILE . 36.7 t -135.0 123.42 40.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.485 ' CD ' ' SD ' ' A' ' 99' ' ' MET . 0.0 OUTLIER -129.8 173.02 11.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.276 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.43 ' OG1' ' N ' ' A' ' 58' ' ' THR . 0.7 OUTLIER -164.94 171.95 13.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 110.413 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.43 ' N ' ' OG1' ' A' ' 57' ' ' THR . 21.7 p -81.52 5.06 19.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.372 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.841 ' HB1' ' HB2' ' A' ' 62' ' ' LYS . . . -149.19 76.84 9.27 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -15.67 20.57 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.548 1.815 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.431 ' O ' ' NE2' ' A' ' 85' ' ' HIS . 14.5 pt-20 -105.84 20.3 19.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 110.305 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.841 ' HB2' ' HB1' ' A' ' 59' ' ' ALA . 7.9 mtpt -125.09 -43.66 1.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.653 ' CE2' ' HB3' ' A' ' 59' ' ' ALA . 35.7 m-85 -109.56 137.75 46.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.9 106.93 18.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.635 HG11 ' HB ' ' A' ' 55' ' ' VAL . 50.5 t -101.48 122.02 53.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.483 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.0 OUTLIER -163.06 129.07 2.28 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.625 ' HD2' HD13 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -75.02 137.04 48.07 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 120.935 -2.527 . . . . 0.0 110.999 0.02 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.454 ' HB3' HG12 ' A' ' 65' ' ' VAL . 90.5 p -112.82 36.04 3.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.999 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 171.33 103.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.402 ' O ' HD11 ' A' ' 114' ' ' LEU . 0.3 OUTLIER 176.43 -160.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.054 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.581 ' HB3' HG22 ' A' ' 109' ' ' THR . 0.0 OUTLIER -138.67 162.64 34.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.968 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.718 ' HB3' HD21 ' A' ' 19' ' ' LEU . 42.2 t -123.8 115.55 21.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 108.261 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -51.13 160.59 0.85 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 134.77 18.18 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.539 1.81 . . . . 0.0 110.966 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.57 33.32 60.99 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.554 1.159 . . . . 0.0 110.993 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -136.21 -179.16 5.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.596 0.821 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.5 p -141.45 132.84 26.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.995 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.866 HD13 ' CE2' ' A' ' 53' ' ' PHE . 1.2 tt -105.1 169.67 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.448 ' OD2' ' CD1' ' A' ' 81' ' ' ILE . 1.8 p-10 -130.32 121.04 25.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.913 HG21 HG21 ' A' ' 55' ' ' VAL . 5.3 mm -115.87 104.26 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.448 ' CD1' ' OD2' ' A' ' 79' ' ' ASP . 2.2 mp -77.46 142.46 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.66 HG11 ' CZ ' ' A' ' 96' ' ' PHE . 54.2 t -139.93 104.6 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.339 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.6 t -124.2 132.16 24.27 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.985 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.46 ' O ' ' N ' ' A' ' 86' ' ' GLY . 18.4 Cg_endo -74.98 107.39 2.47 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.475 1.776 . . . . 0.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.536 ' CD2' ' HA ' ' A' ' 62' ' ' LYS . 11.1 m-70 38.09 -97.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.606 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 84' ' ' PRO . . . -108.76 -59.49 0.54 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.54 1.15 . . . . 0.0 111.029 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -167.63 39.66 0.23 Allowed Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.477 ' C ' HD12 ' A' ' 88' ' ' LEU . 4.1 pp -83.74 163.96 19.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 0.743 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.425 ' O ' ' CD1' ' A' ' 88' ' ' LEU . 1.2 t -76.19 161.2 29.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 110.383 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.617 HG12 ' HE1' ' A' ' 63' ' ' TYR . 2.2 m -118.84 0.53 7.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.0 m 44.72 -165.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.023 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -118.34 21.84 12.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -106.54 -26.27 11.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.485 ' OD2' ' CE2' ' A' ' 63' ' ' TYR . 24.5 t0 -70.98 152.96 43.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.67 151.83 44.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 110.292 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.66 ' CZ ' HG11 ' A' ' 82' ' ' VAL . 20.0 m-85 -117.21 153.84 32.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.999 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.622 HD23 ' HD2' ' A' ' 130' ' ' ARG . 2.9 tm? -135.38 136.85 41.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.803 ' CD1' HD12 ' A' ' 131' ' ' LEU . 4.2 mt -130.79 128.9 63.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.485 ' SD ' ' CD ' ' A' ' 56' ' ' ARG . 1.9 mtp -106.69 155.79 19.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.419 ' HB1' ' HB2' ' A' ' 19' ' ' LEU . . . -160.71 120.92 2.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.591 ' HB1' HG21 ' A' ' 121' ' ' VAL . . . -131.88 134.86 46.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.946 ' HA ' HG22 ' A' ' 51' ' ' VAL . 1.2 tt0 -68.47 116.11 8.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 110.327 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.831 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 11.3 mtp -88.29 172.17 9.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -61.18 -139.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -102.3 -42.78 5.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.251 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.76 156.56 17.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.007 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 20.1 p -179.25 162.48 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.971 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -114.68 -7.13 18.46 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.491 1.12 . . . . 0.0 110.962 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.825 ' HA ' HD21 ' A' ' 114' ' ' LEU . 69.6 p 46.16 29.69 0.85 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 0.766 . . . . 0.0 110.398 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 1.015 ' O ' HD23 ' A' ' 114' ' ' LEU . . . -78.14 -169.79 35.08 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.491 1.119 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -26.82 10.59 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.454 1.765 . . . . 0.0 111.016 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.487 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -92.73 -59.54 2.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.487 ' C ' ' O ' ' A' ' 112' ' ' ALA . 2.3 mm-40 -32.42 -38.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.343 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 1.015 HD23 ' O ' ' A' ' 110' ' ' GLY . 3.1 mm? -75.53 -70.91 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.06 -30.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.979 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 114' ' ' LEU . 4.0 mm100 -78.71 -51.92 9.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 110.283 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.874 ' O ' HG12 ' A' ' 121' ' ' VAL . 76.4 t80 -59.21 -31.03 68.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' TRP . . . . . 0.539 ' CD1' ' HD2' ' A' ' 54' ' ' LYS . 87.2 m95 -78.8 -12.42 60.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 108.005 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.15 -23.22 18.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -93.53 -42.73 9.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.31 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.874 HG12 ' O ' ' A' ' 117' ' ' PHE . 14.6 p -69.49 125.45 91.98 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.474 ' HG2' ' CG ' ' A' ' 125' ' ' LYS . 18.3 Cg_endo -74.99 151.09 39.13 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.477 1.777 . . . . 0.0 111.028 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.05 -18.76 5.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.267 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -77.29 -21.2 53.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.474 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 26.8 mmtt -103.07 -16.46 15.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.502 HG13 ' HZ3' ' A' ' 118' ' ' TRP . 54.9 t -79.54 113.79 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' MET . . . . . 0.451 ' SD ' ' HD2' ' A' ' 17' ' ' PRO . 29.9 ttp -84.79 100.48 11.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.444 ' HB3' HD21 ' A' ' 97' ' ' LEU . 3.2 mt-10 -90.22 132.1 35.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 110.312 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' HIS . . . . . 0.485 ' NE2' ' CG ' ' A' ' 14' ' ' PHE . 53.2 t-80 -131.33 111.86 12.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.596 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.622 ' HD2' HD23 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -85.66 141.88 29.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 110.285 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.803 HD12 ' CD1' ' A' ' 98' ' ' ILE . 0.3 OUTLIER -117.13 157.1 26.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.501 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 0.7 OUTLIER -128.22 156.39 43.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 14.6 t -88.83 150.13 23.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 108.282 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.05 80.67 1.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.613 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.486 HG23 ' N ' ' A' ' 136' ' ' VAL . 6.1 t -161.73 -162.68 0.89 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.384 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.486 ' N ' HG23 ' A' ' 135' ' ' THR . 13.3 p -138.06 146.49 26.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.82 -63.37 1.14 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 3.2 t 69.6 166.72 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 110.015 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.74 149.5 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.974 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -162.02 145.39 9.18 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.28 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -176.88 3.11 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.523 1.801 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 22.2 t30 -131.64 -52.53 1.0 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 3.0 m 58.34 159.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 109.997 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -172.15 168.73 5.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 4.1 ttt -154.88 161.33 41.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 111.049 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.825 ' O ' HD13 ' A' ' 146' ' ' LEU . 0.0 OUTLIER -152.24 145.47 24.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.332 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 147' ' ' SER . . . . . 0.482 ' N ' HD22 ' A' ' 146' ' ' LEU . 0.4 OUTLIER -148.63 174.13 12.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.986 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -177.78 78.46 0.07 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.546 1.154 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 177.92 7.94 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.498 1.788 . . . . 0.0 111.005 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 46.7 m -166.28 165.07 17.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.986 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 7.2 t -138.06 -59.08 0.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.992 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.523 1.139 . . . . 0.0 110.971 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.04 94.85 2.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 109.987 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 p -158.01 159.98 36.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.958 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.87 163.7 31.59 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.452 1.095 . . . . 0.0 110.994 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.7 154.62 39.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 0.752 . . . . 0.0 109.945 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.08 134.59 29.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.039 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.92 -129.13 5.65 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.69 154.49 3.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 0.753 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.16 157.47 66.61 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -177.86 3.75 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.467 1.772 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -43.89 129.29 5.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.282 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.1 m -154.85 153.68 31.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 110.016 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.511 HG22 ' CE ' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -125.43 143.17 39.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.552 ' CG ' ' NE2' ' A' ' 129' ' ' HIS . 20.3 t80 -73.43 96.01 2.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.961 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.511 ' CE ' HG22 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -57.2 93.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 109.334 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.74 155.49 30.57 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.436 1.085 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.411 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.2 Cg_endo -75.0 -18.96 18.3 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.472 1.775 . . . . 0.0 111.03 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.657 ' HA ' HG23 ' A' ' 47' ' ' THR . 2.7 mt -120.67 -76.43 0.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.743 HD21 ' HB3' ' A' ' 72' ' ' CYS . 0.0 OUTLIER -110.52 133.0 53.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.654 ' CE1' HG11 ' A' ' 46' ' ' VAL . 0.3 OUTLIER -79.69 156.31 27.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.573 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.603 HD12 HG21 ' A' ' 98' ' ' ILE . 3.0 mm -127.43 127.68 69.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.242 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.451 ' HA ' ' C ' ' A' ' 23' ' ' PRO . 0.5 OUTLIER -138.48 128.61 15.0 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.973 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.451 ' C ' ' HA ' ' A' ' 22' ' ' SER . 18.4 Cg_endo -75.04 178.66 33.74 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 120.964 -2.515 . . . . 0.0 110.982 -0.026 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.98 -85.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.793 ' HA ' HD23 ' A' ' 131' ' ' LEU . 12.4 mt-10 -141.92 63.48 1.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 23' ' ' PRO . 0.3 OUTLIER -162.58 103.47 1.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.606 HD22 HG21 ' A' ' 39' ' ' THR . 13.5 mt -101.48 127.1 48.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.435 ' CD1' ' N ' ' A' ' 28' ' ' TYR . 16.4 m-85 -105.72 93.44 4.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.09 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.614 ' CD2' HG11 ' A' ' 90' ' ' VAL . 54.3 m-85 -82.24 96.29 7.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 148.37 90.02 0.08 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.571 1.17 . . . . 0.0 110.963 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 64.9 m -113.59 162.05 16.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 0.0 110.027 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mt -113.14 -58.6 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -49.76 -46.73 50.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.251 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.0 p -78.6 -25.69 45.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.001 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.08 -92.92 1.74 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -44.66 145.97 0.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.782 . . . . 0.0 110.263 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.6 mtmm -84.98 58.77 5.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.355 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.754 ' HD2' HG23 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -115.48 145.36 42.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.606 HG21 HD22 ' A' ' 27' ' ' LEU . 10.2 t -107.16 146.72 30.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.379 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.555 HD12 ' N ' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -118.21 117.43 29.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.555 ' N ' HD12 ' A' ' 40' ' ' LEU . 6.4 mt -90.98 149.96 3.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 t -124.33 136.03 61.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.75 ' HB2' HG22 ' A' ' 78' ' ' ILE . 8.4 mt -120.45 108.57 14.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.404 ' HB ' ' HB2' ' A' ' 20' ' ' HIS . 0.8 OUTLIER -93.99 112.11 23.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.409 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.437 ' CG ' ' HA ' ' A' ' 74' ' ' PRO . 43.5 t-20 -79.76 108.93 13.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.654 HG11 ' CE1' ' A' ' 20' ' ' HIS . 13.6 m -86.17 -39.57 13.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.552 1.158 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.657 HG23 ' HA ' ' A' ' 18' ' ' LEU . 1.7 p -51.26 158.91 0.73 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.424 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -97.57 25.89 5.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.537 ' O ' HG23 ' A' ' 51' ' ' VAL . 6.8 m-80 -148.76 138.13 21.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.412 ' C ' ' O ' ' A' ' 49' ' ' ASN . 10.3 mt -39.37 149.25 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.757 HG22 ' HA ' ' A' ' 102' ' ' GLU . 76.4 t -137.75 128.03 36.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.663 ' HB3' ' CE2' ' A' ' 117' ' ' PHE . . . -90.54 126.37 35.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.601 ' CE1' HD13 ' A' ' 78' ' ' ILE . 47.9 p90 -121.45 162.06 21.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.986 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.537 ' HE3' ' CD1' ' A' ' 118' ' ' TRP . 12.9 mttm -150.5 149.93 30.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.956 HG21 HG21 ' A' ' 80' ' ' ILE . 79.0 t -113.89 115.31 49.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 109.253 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -122.7 136.87 55.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.328 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.464 HG23 ' H ' ' A' ' 59' ' ' ALA . 4.9 t -134.04 169.51 17.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.402 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.1 p -88.5 22.42 2.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.429 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.793 ' HB1' ' HD3' ' A' ' 62' ' ' LYS . . . -174.86 73.33 0.3 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -17.84 19.35 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.509 1.794 . . . . 0.0 111.025 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -92.37 21.27 5.39 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.564 1.165 . . . . 0.0 110.29 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.793 ' HD3' ' HB1' ' A' ' 59' ' ' ALA . 10.2 mtpt -136.09 -46.43 0.64 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.575 ' CE2' ' HB3' ' A' ' 59' ' ' ALA . 30.7 m-85 -102.25 133.84 46.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.8 112.67 24.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 0.6 OUTLIER -116.53 116.12 51.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.439 ' HG2' ' HA ' ' A' ' 67' ' ' PRO . 0.0 OUTLIER -151.95 127.17 4.8 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.691 ' O ' HG23 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -75.0 155.65 99.96 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 121.011 -2.495 . . . . 0.0 111.041 -0.002 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.447 ' CB ' ' CG2' ' A' ' 65' ' ' VAL . 26.1 p -113.37 -18.57 12.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.127 . . . . 0.0 109.981 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -143.58 99.65 3.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.55 ' HB2' ' CZ ' ' A' ' 53' ' ' PHE . 69.6 m -161.99 -177.66 5.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 110.031 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.71 158.26 33.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.964 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.743 ' HB3' HD21 ' A' ' 19' ' ' LEU . 42.6 t -123.31 118.09 26.75 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.492 1.12 . . . . 0.0 108.275 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -55.47 161.25 3.08 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.437 ' HA ' ' CG ' ' A' ' 45' ' ' ASN . 18.4 Cg_endo -74.93 133.94 17.33 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.486 1.782 . . . . 0.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.1 32.2 56.59 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -140.39 177.83 7.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 1.8 p -138.83 137.29 36.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.165 . . . . 0.0 109.977 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.75 HG22 ' HB2' ' A' ' 43' ' ' LEU . 1.1 tt -105.06 168.89 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.425 1.078 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.438 ' OD2' ' CD1' ' A' ' 81' ' ' ILE . 1.4 p-10 -127.25 123.19 35.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.956 HG21 HG21 ' A' ' 55' ' ' VAL . 6.3 mm -118.44 105.85 18.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.358 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.754 HG23 ' HD2' ' A' ' 38' ' ' LYS . 2.2 mp -79.06 141.77 14.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.251 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.529 ' CG1' ' CZ ' ' A' ' 96' ' ' PHE . 93.0 t -136.82 98.86 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.339 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -111.53 120.19 43.22 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.006 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 162.88 36.49 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.509 1.794 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -54.94 163.65 0.97 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.552 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -96.54 78.89 0.73 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 155.96 -70.16 0.28 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.869 HD12 ' N ' ' A' ' 89' ' ' THR . 1.9 pp -64.3 -28.71 69.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 0.782 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.869 ' N ' HD12 ' A' ' 88' ' ' LEU . 2.1 t 46.45 -176.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.393 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.746 HG23 ' OD2' ' A' ' 94' ' ' ASP . 2.5 p -75.52 123.09 30.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.256 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.448 ' O ' ' HB2' ' A' ' 92' ' ' ALA . 52.4 m -66.0 -86.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 110.038 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.448 ' HB2' ' O ' ' A' ' 91' ' ' SER . . . 178.4 -39.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.251 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -82.18 -8.57 59.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.746 ' OD2' HG23 ' A' ' 90' ' ' VAL . 1.6 m-20 -54.51 141.09 32.4 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 5.0 tpp180 -130.67 137.84 49.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.529 ' CZ ' ' CG1' ' A' ' 82' ' ' VAL . 18.5 m-85 -114.85 105.05 12.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.693 HD11 ' HB3' ' A' ' 128' ' ' GLU . 51.1 tp -83.98 148.2 27.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.712 ' CD1' HD12 ' A' ' 131' ' ' LEU . 2.8 mt -137.63 115.83 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.422 ' O ' ' HA ' ' A' ' 53' ' ' PHE . 15.2 mtp -88.19 152.51 21.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -161.29 117.69 2.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.799 ' HB1' HG21 ' A' ' 121' ' ' VAL . . . -133.09 135.35 45.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.757 ' HA ' HG22 ' A' ' 51' ' ' VAL . 0.9 OUTLIER -70.18 124.37 23.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.564 ' HG2' ' CE2' ' A' ' 117' ' ' PHE . 0.0 OUTLIER -90.07 172.14 9.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.09 . . . . 0.0 111.018 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -72.08 -143.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.26 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -70.72 -162.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.1 m -53.14 104.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.984 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.2 m -127.18 154.72 44.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.01 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -76.94 140.08 24.39 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 76.9 p -94.65 31.84 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.434 0.726 . . . . 0.0 110.39 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -74.84 -178.07 40.34 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.457 1.098 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -14.28 21.17 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.453 1.765 . . . . 0.0 111.015 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -90.43 -72.98 0.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 112' ' ' ALA . 2.5 mm-40 -36.73 -46.38 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.282 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.406 ' C ' ' N ' ' A' ' 116' ' ' GLN . 70.6 mt -60.59 -64.04 1.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -43.79 -26.42 0.25 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 109.963 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.406 ' N ' ' C ' ' A' ' 114' ' ' LEU . 1.1 tt0 -81.39 -54.24 5.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.813 ' O ' HG12 ' A' ' 121' ' ' VAL . 19.0 t80 -56.88 -32.74 66.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 111.011 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' TRP . . . . . 0.537 ' CD1' ' HE3' ' A' ' 54' ' ' LYS . 85.4 m95 -76.98 -12.16 59.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 108.002 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.45 -26.7 15.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.409 ' CG ' ' N ' ' A' ' 121' ' ' VAL . 0.4 OUTLIER -91.52 -42.64 10.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.302 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.813 HG12 ' O ' ' A' ' 117' ' ' PHE . 9.1 p -69.36 121.56 82.53 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 109.342 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.499 ' HG2' ' CG ' ' A' ' 125' ' ' LYS . 18.3 Cg_endo -75.0 155.73 42.93 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.522 1.801 . . . . 0.0 111.023 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.89 -28.92 66.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 110.321 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -66.09 -30.02 70.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.265 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.499 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 36.6 mmtt -90.39 -19.81 23.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 122' ' ' PRO . 50.2 t -75.01 123.38 30.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' MET . . . . . 0.411 ' SD ' ' HD2' ' A' ' 17' ' ' PRO . 37.7 ttp -93.59 118.15 31.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.693 ' HB3' HD11 ' A' ' 97' ' ' LEU . 15.5 mt-10 -104.89 126.89 52.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.276 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' HIS . . . . . 0.552 ' NE2' ' CG ' ' A' ' 14' ' ' PHE . 15.7 t-80 -126.13 112.19 15.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.61 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.415 ' HG3' HD13 ' A' ' 97' ' ' LEU . 7.9 mtp180 -87.53 127.83 35.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.254 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.793 HD23 ' HA ' ' A' ' 25' ' ' GLU . 0.4 OUTLIER -104.45 149.96 24.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.443 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -125.43 153.51 43.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 110.288 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 19.8 p -84.44 161.41 20.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 108.326 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.524 ' O ' HG23 ' A' ' 136' ' ' VAL . 0.1 OUTLIER -124.38 71.91 1.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.593 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.407 ' H ' HG23 ' A' ' 135' ' ' THR . 43.3 p -55.63 130.65 43.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.387 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 134' ' ' HIS . 73.7 t -137.95 144.07 31.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -70.5 134.77 48.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.243 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 15.7 t -77.79 154.4 31.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.544 1.153 . . . . 0.0 110.013 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 88.2 p -109.83 69.59 0.7 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.142 . . . . 0.0 110.021 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' LYS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 141' ' ' PRO . 0.1 OUTLIER -139.63 128.49 13.62 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 141' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 140' ' ' LYS . 18.3 Cg_endo -74.99 73.54 4.28 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.529 1.805 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -156.94 -61.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 3.2 t -101.77 174.95 5.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 110.002 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.6 pp -167.87 135.13 2.22 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.115 . . . . 0.0 109.26 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -166.47 86.61 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.578 1.174 . . . . 0.0 111.014 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -47.02 -61.92 1.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 74.6 m 63.87 101.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.127 . . . . 0.0 110.016 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -42.42 121.56 2.8 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 164.07 34.12 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.506 1.792 . . . . 0.0 111.016 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 6.9 t -114.76 145.07 42.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.041 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 1.1 m -93.91 81.94 4.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.115 . . . . 0.0 110.027 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.469 1.106 . . . . 0.0 110.993 -179.986 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 62.38 151.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 0.76 . . . . 0.0 110.043 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.3 p -176.67 91.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.964 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.27 -65.13 2.68 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.69 145.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 0.743 . . . . 0.0 110.023 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.1 m -154.92 89.57 1.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.996 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.76 -137.37 2.46 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.481 1.113 . . . . 0.0 111.019 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.22 70.58 0.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 0.774 . . . . 0.0 109.296 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.7 mtmm 63.73 154.87 0.12 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 0.0 109.266 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 120.06 5.93 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.555 1.818 . . . . 0.0 111.003 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -125.93 67.89 1.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.2 m -89.14 152.4 21.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.995 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.572 HG22 ' HE3' ' A' ' 15' ' ' LYS . 0.8 OUTLIER -124.8 146.86 29.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.25 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.704 ' CG ' ' CE1' ' A' ' 129' ' ' HIS . 23.6 t80 -74.2 96.64 2.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.961 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.572 ' HE3' HG22 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -58.67 95.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -88.91 152.56 23.04 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.44 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.3 Cg_endo -75.02 -18.31 18.79 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.496 1.788 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.499 ' HA ' ' CG2' ' A' ' 47' ' ' THR . 10.8 mt -116.64 -76.34 0.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.784 HD21 ' HB3' ' A' ' 72' ' ' CYS . 0.0 OUTLIER -114.61 134.64 54.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.874 ' CE1' HG11 ' A' ' 46' ' ' VAL . 0.3 OUTLIER -79.82 156.28 27.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.6 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.637 HG21 ' HD2' ' A' ' 129' ' ' HIS . 1.4 mm -128.09 123.7 61.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.445 ' HA ' ' HA ' ' A' ' 23' ' ' PRO . 0.1 OUTLIER -133.14 126.98 19.81 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.005 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.445 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 18.2 Cg_endo -75.03 -179.85 28.15 Favored 'Cis proline' 0 C--N 1.359 1.118 0 C-N-CA 121.005 -2.498 . . . . 0.0 110.979 0.008 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.55 -85.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.636 ' HA ' HD23 ' A' ' 131' ' ' LEU . 0.0 OUTLIER -143.35 59.54 1.4 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -162.17 105.03 1.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.326 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.631 ' HG ' HD22 ' A' ' 131' ' ' LEU . 36.6 mt -99.66 142.74 30.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.548 ' CD1' ' HB3' ' A' ' 134' ' ' HIS . 1.5 m-85 -130.32 91.78 3.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.622 ' CD2' HG11 ' A' ' 90' ' ' VAL . 22.2 m-85 -76.62 -178.08 4.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 110.978 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.434 ' CA ' ' HB2' ' A' ' 37' ' ' LYS . . . -77.39 125.59 7.41 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.9 t -74.79 153.94 38.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 0.77 . . . . 0.0 110.007 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.855 HG23 ' HG3' ' A' ' 33' ' ' GLU . 0.9 OUTLIER -54.3 -177.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.855 ' HG3' HG23 ' A' ' 32' ' ' ILE . 11.9 mt-10 68.27 -66.26 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 32' ' ' ILE . 0.2 OUTLIER -74.02 -5.16 39.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.426 1.079 . . . . 0.0 109.976 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.58 142.05 8.95 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.41 150.25 40.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 0.776 . . . . 0.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.434 ' HB2' ' CA ' ' A' ' 30' ' ' GLY . 0.3 OUTLIER -123.92 -173.94 2.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 109.29 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.559 ' HD3' HG23 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -123.64 141.51 51.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.514 HG22 ' CE1' ' A' ' 29' ' ' PHE . 14.5 t -103.81 132.81 49.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.374 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.656 HD12 ' N ' ' A' ' 41' ' ' ILE . 2.8 tp -112.89 120.96 43.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.338 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.656 ' N ' HD12 ' A' ' 40' ' ' LEU . 16.0 mt -89.84 148.59 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.7 t -116.09 133.74 61.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.877 ' HB2' HG22 ' A' ' 78' ' ' ILE . 29.9 mt -122.89 107.5 11.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.81 105.1 16.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.426 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.669 ' OD1' HD22 ' A' ' 19' ' ' LEU . 10.3 t-20 -69.95 110.7 5.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.874 HG11 ' CE1' ' A' ' 20' ' ' HIS . 13.1 m -99.93 36.72 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.499 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 1.6 p -119.49 165.9 13.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.408 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.34 20.38 11.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -154.15 156.13 36.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.357 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.512 HD12 ' OG ' ' A' ' 107' ' ' SER . 45.2 mt -56.09 148.58 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.931 HG22 ' HA ' ' A' ' 102' ' ' GLU . 54.9 t -136.27 121.82 28.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.53 ' HB3' ' CE2' ' A' ' 117' ' ' PHE . . . -78.85 122.0 25.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.875 ' CE2' HD13 ' A' ' 78' ' ' ILE . 31.8 p90 -113.46 150.56 32.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.584 ' HG3' ' CZ2' ' A' ' 118' ' ' TRP . 7.3 mttt -144.2 126.88 16.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.897 HG21 HG21 ' A' ' 80' ' ' ILE . 48.8 t -105.63 120.16 55.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.493 ' CD ' ' SD ' ' A' ' 99' ' ' MET . 0.0 OUTLIER -124.52 172.58 9.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.329 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.512 HG23 ' H ' ' A' ' 59' ' ' ALA . 5.0 t -159.83 171.27 19.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.42 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.9 p -87.38 20.56 2.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.392 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.785 ' HB1' ' HD3' ' A' ' 62' ' ' LYS . . . -168.91 74.1 0.76 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -16.84 19.94 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.525 1.802 . . . . 0.0 110.966 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -95.9 28.25 3.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.311 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.8 ' HG2' HD22 ' A' ' 88' ' ' LEU . 2.2 mtpm? -141.83 -48.87 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.403 ' CE2' ' CG ' ' A' ' 94' ' ' ASP . 40.1 m-85 -101.85 125.93 48.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.957 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.49 105.05 17.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.517 HG11 ' CG1' ' A' ' 55' ' ' VAL . 9.6 t -100.85 128.47 52.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.503 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.3 OUTLIER -162.53 131.73 3.11 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.663 ' HD2' HD13 ' A' ' 80' ' ' ILE . 18.2 Cg_endo -75.0 132.91 29.16 Favored 'Cis proline' 0 C--N 1.361 1.185 0 C-N-CA 120.941 -2.525 . . . . 0.0 111.006 -0.075 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.423 ' N ' ' HA ' ' A' ' 66' ' ' LYS . 82.0 p -113.02 41.11 2.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.03 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.8 t30 169.01 78.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.46 -165.44 1.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.01 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 86.2 p -137.52 151.64 48.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.02 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.784 ' HB3' HD21 ' A' ' 19' ' ' LEU . 50.9 t -111.59 121.66 45.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 108.312 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.78 162.19 17.79 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.258 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 145.58 31.74 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.519 1.799 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 65.69 30.43 77.29 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.439 1.087 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -141.43 -179.72 6.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 0.744 . . . . 0.0 109.331 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.422 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 2.3 p -143.15 136.47 28.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.016 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.877 HG22 ' HB2' ' A' ' 43' ' ' LEU . 1.3 tt -105.29 171.38 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.645 ' HB2' HD11 ' A' ' 40' ' ' LEU . 5.3 p-10 -131.92 119.25 20.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.897 HG21 HG21 ' A' ' 55' ' ' VAL . 7.3 mm -110.83 97.04 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.559 HG23 ' HD3' ' A' ' 38' ' ' LYS . 3.2 mp -71.35 140.58 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.613 HG11 ' CZ ' ' A' ' 96' ' ' PHE . 53.4 t -133.87 121.18 38.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.426 ' HB2' ' CB ' ' A' ' 38' ' ' LYS . 10.3 t -146.23 139.37 14.43 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.049 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 171.58 18.04 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.437 1.756 . . . . 0.0 110.979 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.559 ' H ' HD11 ' A' ' 88' ' ' LEU . 13.1 m-70 -80.19 177.3 9.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.611 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -93.09 50.61 2.48 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.457 1.098 . . . . 0.0 110.979 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -178.11 36.56 0.08 OUTLIER Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.8 HD22 ' HG2' ' A' ' 62' ' ' LYS . 0.9 OUTLIER -175.15 -177.27 1.03 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 0.787 . . . . 0.0 109.272 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.8 t -145.54 171.87 14.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.123 . . . . 0.0 110.378 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.622 HG11 ' CD2' ' A' ' 29' ' ' PHE . 2.6 p -95.15 114.12 31.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.8 m -79.64 -175.56 4.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.964 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.407 ' CB ' ' HA ' ' A' ' 138' ' ' SER . . . -91.95 -22.09 20.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.355 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -80.9 -32.95 34.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.316 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.403 ' CG ' ' CE2' ' A' ' 63' ' ' TYR . 4.2 t0 -48.15 108.05 0.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.01 149.75 23.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.271 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.613 ' CZ ' HG11 ' A' ' 82' ' ' VAL . 9.4 m-85 -113.5 151.01 32.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.456 1.097 . . . . 0.0 111.033 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.733 HD23 ' HD2' ' A' ' 130' ' ' ARG . 3.3 tm? -131.96 138.87 48.48 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.801 ' CD1' HD12 ' A' ' 131' ' ' LEU . 3.4 mt -134.73 126.96 48.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.493 ' SD ' ' CD ' ' A' ' 56' ' ' ARG . 11.9 mtp -104.89 155.65 18.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.502 ' HB1' ' HB2' ' A' ' 19' ' ' LEU . . . -161.29 118.95 2.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.557 ' HB1' HG21 ' A' ' 121' ' ' VAL . . . -132.09 131.93 42.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.931 ' HA ' HG22 ' A' ' 51' ' ' VAL . 1.2 tt0 -69.27 114.56 7.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.587 ' HG2' ' CE1' ' A' ' 117' ' ' PHE . 0.0 OUTLIER -86.66 172.31 10.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 111.007 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -71.14 -143.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -90.85 -76.12 0.45 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.343 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.72 104.13 1.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.16 . . . . 0.0 110.02 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.512 ' OG ' HD12 ' A' ' 50' ' ' ILE . 28.9 p -118.19 125.29 49.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.024 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 109' ' ' THR . . . -86.47 -9.44 75.64 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.455 1.097 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 108' ' ' GLY . 30.4 p 36.44 58.45 1.03 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 0.787 . . . . 0.0 110.407 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -123.05 -161.88 11.33 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -47.68 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.456 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -74.85 -63.63 1.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 112' ' ' ALA . 0.3 OUTLIER -34.78 -54.26 0.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 110.287 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 117' ' ' PHE . 77.7 mt -59.66 -62.05 2.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.508 ' O ' ' CG ' ' A' ' 119' ' ' LYS . 0.6 OUTLIER -46.77 -35.36 6.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.967 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.519 ' HA ' ' CG ' ' A' ' 119' ' ' LYS . 2.3 mt-30 -72.21 -32.9 67.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.633 ' O ' HG12 ' A' ' 121' ' ' VAL . 18.1 t80 -85.21 -25.88 27.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' TRP . . . . . 0.608 ' HA ' HG12 ' A' ' 121' ' ' VAL . 59.9 m95 -84.81 -23.0 29.3 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.519 ' CG ' ' HA ' ' A' ' 116' ' ' GLN . 0.0 OUTLIER -88.52 -26.5 21.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.408 ' CG ' ' HD2' ' A' ' 119' ' ' LYS . 2.1 mt-10 -88.52 -37.39 15.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.633 HG12 ' O ' ' A' ' 117' ' ' PHE . 9.1 p -69.28 124.8 91.21 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.477 ' HG2' ' CG ' ' A' ' 125' ' ' LYS . 18.3 Cg_endo -75.01 153.31 41.65 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.453 1.765 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -16.97 10.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 110.284 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -79.16 -21.09 46.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.477 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 20.4 mmtt -103.94 -12.4 16.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.601 HG12 ' HG3' ' A' ' 128' ' ' GLU . 25.4 t -79.11 104.95 7.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' MET . . . . . 0.475 ' HB2' HD12 ' A' ' 18' ' ' LEU . 27.5 ttp -80.21 102.0 9.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.651 ' HB3' HD21 ' A' ' 97' ' ' LEU . 51.8 mt-10 -100.82 127.42 47.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' HIS . . . . . 0.704 ' CE1' ' CG ' ' A' ' 14' ' ' PHE . 75.9 t60 -128.23 111.64 13.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.649 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.733 ' HD2' HD23 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -82.05 141.1 33.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.31 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.801 HD12 ' CD1' ' A' ' 98' ' ' ILE . 0.3 OUTLIER -116.17 147.11 41.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -96.84 162.87 13.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.36 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 96.7 m -119.0 114.71 22.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 108.259 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.548 ' HB3' ' CD1' ' A' ' 28' ' ' TYR . 0.4 OUTLIER -94.8 101.48 13.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.617 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.425 ' OG1' ' N ' ' A' ' 136' ' ' VAL . 0.7 OUTLIER -140.18 172.31 12.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.368 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.425 ' N ' ' OG1' ' A' ' 135' ' ' THR . 34.2 m -62.69 -176.7 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 69.67 -73.54 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' SER . . . . . 0.407 ' HA ' ' CB ' ' A' ' 92' ' ' ALA . 70.1 m 62.66 169.33 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.011 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 53.9 p -53.48 175.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.005 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 4.1 mttp 62.52 110.74 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 177.89 7.98 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.478 1.778 . . . . 0.0 111.058 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -40.81 159.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.02 -58.45 6.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.11 . . . . 0.0 109.986 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.8 pp -143.4 173.42 11.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.5 ttm -172.41 127.13 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 111.002 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.48 -65.53 1.0 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 4.7 t 40.32 91.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.0 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 174.17 145.32 5.17 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.474 1.109 . . . . 0.0 110.986 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -59.0 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.469 1.773 . . . . 0.0 110.997 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 32.6 t 66.57 116.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.975 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 85.5 p -144.45 153.41 41.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.008 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.6 m -92.79 83.58 4.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 0.738 . . . . 0.0 110.019 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 t -114.6 147.44 39.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.98 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.93 127.36 5.51 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.56 1.162 . . . . 0.0 110.994 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.42 126.38 23.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 0.755 . . . . 0.0 110.016 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.6 p -145.7 112.52 5.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.007 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.83 159.97 22.85 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.53 1.143 . . . . 0.0 110.948 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -86.37 131.79 34.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 0.757 . . . . 0.0 109.331 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.09 151.35 12.96 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.356 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 119.66 5.74 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.503 1.791 . . . . 0.0 110.978 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.67 91.13 8.27 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.4 m -75.11 152.61 38.52 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.988 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.599 HG22 ' HE3' ' A' ' 15' ' ' LYS . 0.6 OUTLIER -130.25 143.88 39.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.268 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -73.82 96.47 2.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 0.0 111.02 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.599 ' HE3' HG22 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -57.54 100.21 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -89.75 154.57 24.05 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.41 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.3 Cg_endo -75.0 -20.91 16.39 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.489 1.784 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.558 ' HA ' HG23 ' A' ' 47' ' ' THR . 8.4 mt -117.87 -75.63 0.58 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.718 HD22 ' OD1' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -111.21 134.7 52.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.696 ' CE1' HG11 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -79.75 157.39 27.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.587 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.564 HD13 ' CD2' ' A' ' 43' ' ' LEU . 1.4 mm -126.94 124.82 65.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.155 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.479 ' HA ' ' HA ' ' A' ' 23' ' ' PRO . 0.1 OUTLIER -133.05 125.25 18.95 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.988 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.479 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 18.2 Cg_endo -74.98 -165.29 4.06 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 121.019 -2.492 . . . . 0.0 110.989 -0.002 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.17 -89.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.5 ' O ' ' CG ' ' A' ' 132' ' ' ARG . 0.1 OUTLIER -136.62 63.72 1.57 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 110.337 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -162.72 104.71 1.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.299 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 1.004 ' HG ' HG21 ' A' ' 39' ' ' THR . 1.5 tp -98.41 120.48 38.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -111.97 104.94 13.24 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.508 ' CZ ' HD23 ' A' ' 27' ' ' LEU . 95.3 m-85 -91.69 91.66 8.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 111.031 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 172.63 93.71 0.09 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.7 t -83.85 163.18 20.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 0.793 . . . . 0.0 110.013 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mp -40.94 141.61 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 72.09 -168.39 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -107.2 24.49 12.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 110.007 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.65 -97.57 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -116.04 168.83 9.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 0.743 . . . . 0.0 110.317 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -129.48 65.83 1.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.416 ' CD ' HG23 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -118.97 149.27 41.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . 1.004 HG21 ' HG ' ' A' ' 27' ' ' LEU . 7.4 t -115.83 160.47 20.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.41 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.58 HD12 ' N ' ' A' ' 41' ' ' ILE . 0.4 OUTLIER -128.49 120.72 27.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.58 ' N ' HD12 ' A' ' 40' ' ' LEU . 51.1 mt -90.17 141.84 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.0 t -116.59 135.84 55.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.842 ' HB2' HG22 ' A' ' 78' ' ' ILE . 14.8 mt -124.37 107.58 11.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.413 ' HB ' ' HB2' ' A' ' 20' ' ' HIS . 1.3 m -97.11 106.53 18.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.387 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.718 ' OD1' HD22 ' A' ' 19' ' ' LEU . 19.0 t30 -73.89 97.74 2.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.696 HG11 ' CE1' ' A' ' 20' ' ' HIS . 16.3 m -70.45 -38.43 73.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.558 HG23 ' HA ' ' A' ' 18' ' ' LEU . 5.8 p -49.23 163.11 0.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 110.409 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.03 20.88 15.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.592 ' O ' HG23 ' A' ' 51' ' ' VAL . 9.9 m-80 -144.92 137.67 26.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.411 HD12 ' HB2' ' A' ' 107' ' ' SER . 95.4 mt -39.51 145.75 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.934 HG22 ' HA ' ' A' ' 102' ' ' GLU . 48.4 t -137.88 123.63 25.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.59 126.82 33.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.712 ' CE2' HD13 ' A' ' 78' ' ' ILE . 52.1 p90 -118.0 165.72 13.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 110.988 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.574 ' HG3' ' CZ2' ' A' ' 118' ' ' TRP . 31.3 mttt -154.05 130.48 10.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.649 HG21 HG21 ' A' ' 80' ' ' ILE . 89.8 t -109.15 116.04 51.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.507 ' CD ' ' SD ' ' A' ' 99' ' ' MET . 0.0 OUTLIER -127.92 173.12 10.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.27 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.503 HG23 ' H ' ' A' ' 59' ' ' ALA . 3.7 t -161.29 173.89 14.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.369 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.3 p -86.72 19.3 2.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.368 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.503 ' H ' HG23 ' A' ' 57' ' ' THR . . . -164.9 75.08 1.47 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -25.8 11.7 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.567 1.825 . . . . 0.0 111.056 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -91.54 32.99 1.03 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 110.335 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 85' ' ' HIS . 14.5 mtpt -142.83 -48.98 0.34 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.459 ' HE1' HG22 ' A' ' 90' ' ' VAL . 61.3 m-85 -104.19 123.65 47.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.7 mtm-85 -81.35 105.61 12.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.638 HG11 ' CG1' ' A' ' 55' ' ' VAL . 3.7 t -107.14 127.26 63.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.5 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.0 OUTLIER -163.99 131.22 2.48 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.717 ' HD2' HD13 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -74.99 141.27 71.28 Favored 'Cis proline' 0 C--N 1.359 1.111 0 C-N-CA 120.975 -2.51 . . . . 0.0 111.001 -0.057 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.423 ' HB3' ' O ' ' A' ' 65' ' ' VAL . 24.2 p -113.22 31.49 6.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.029 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 171.86 92.41 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.11 . . . . 0.0 109.269 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.03 -165.94 0.96 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.019 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.7 p -137.62 147.6 45.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.486 ' HB3' HD21 ' A' ' 19' ' ' LEU . 51.2 t -115.02 120.17 38.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 108.297 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -58.03 164.46 3.38 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.244 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.407 ' HA ' ' HB3' ' A' ' 45' ' ' ASN . 18.3 Cg_endo -74.97 140.38 25.45 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.568 1.825 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.65 28.2 72.47 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.45 1.094 . . . . 0.0 111.002 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -133.61 -178.39 4.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 2.9 p -142.16 139.52 32.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.974 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.842 HG22 ' HB2' ' A' ' 43' ' ' LEU . 0.5 OUTLIER -105.86 169.26 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -130.63 115.0 16.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.717 HD13 ' HD2' ' A' ' 67' ' ' PRO . 2.5 mm -114.65 110.34 31.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.416 HG23 ' CD ' ' A' ' 38' ' ' LYS . 2.4 mp -82.66 145.79 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.707 HG11 ' CZ ' ' A' ' 96' ' ' PHE . 54.5 t -138.57 97.5 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.7 t -117.42 128.28 26.11 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.582 1.176 . . . . 0.0 110.034 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 85' ' ' HIS . 18.4 Cg_endo -75.0 157.1 42.96 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.518 1.799 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.439 ' HB2' HD11 ' A' ' 88' ' ' LEU . 0.1 OUTLIER -48.43 175.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.594 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -110.24 66.79 0.23 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.451 1.094 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 179.32 -62.73 0.08 OUTLIER Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.554 ' CD2' ' C ' ' A' ' 88' ' ' LEU . 0.0 OUTLIER -71.27 -171.31 0.58 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 0.738 . . . . 0.0 109.275 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 71.6 p -110.42 -168.52 1.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.426 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.459 HG22 ' HE1' ' A' ' 63' ' ' TYR . 3.4 t -103.13 -12.73 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.3 t 56.26 172.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.975 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -121.93 12.98 10.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -111.36 -30.81 7.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.293 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.406 ' OD2' ' CE2' ' A' ' 63' ' ' TYR . 14.1 t70 -51.41 161.83 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -149.22 149.63 31.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.707 ' CZ ' HG11 ' A' ' 82' ' ' VAL . 23.1 m-85 -109.56 154.37 22.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.157 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.714 HD11 ' HG3' ' A' ' 99' ' ' MET . 1.4 tm? -134.62 142.6 46.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.792 ' CD1' HD12 ' A' ' 131' ' ' LEU . 3.8 mt -136.87 125.9 36.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.268 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.714 ' HG3' HD11 ' A' ' 97' ' ' LEU . 6.6 mtp -106.87 154.84 20.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.545 ' HB1' ' HB2' ' A' ' 19' ' ' LEU . . . -162.01 118.57 2.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.743 ' HB2' HG23 ' A' ' 126' ' ' VAL . . . -129.83 131.1 46.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.934 ' HA ' HG22 ' A' ' 51' ' ' VAL . 0.9 OUTLIER -70.15 127.47 32.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.263 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.573 ' HG2' ' CE1' ' A' ' 117' ' ' PHE . 12.6 mtp -88.12 171.41 10.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -72.5 -143.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -80.77 -70.59 0.52 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.343 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.07 121.14 26.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 110.038 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.421 ' O ' HG23 ' A' ' 109' ' ' THR . 6.3 m -120.45 114.06 21.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.002 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 109' ' ' THR . . . -70.18 -18.19 74.65 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 108' ' ' GLY . 36.6 p 36.07 71.29 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 0.741 . . . . 0.0 110.391 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.7 ' O ' HD12 ' A' ' 114' ' ' LEU . . . -141.78 -171.18 12.78 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.503 1.127 . . . . 0.0 110.96 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -23.82 13.42 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.552 1.817 . . . . 0.0 111.018 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -92.14 -67.31 0.86 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -39.9 -45.82 1.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.269 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.7 HD12 ' O ' ' A' ' 110' ' ' GLY . 82.1 mt -62.77 -64.11 1.02 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.6 t -46.7 -33.0 3.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.984 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.525 ' HA ' ' CG ' ' A' ' 119' ' ' LYS . 1.3 mt-30 -80.54 -31.33 37.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 110.322 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.663 ' O ' HG12 ' A' ' 121' ' ' VAL . 87.1 t80 -84.66 -20.19 31.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' TRP . . . . . 0.907 ' CZ3' HG21 ' A' ' 126' ' ' VAL . 55.2 m95 -90.36 -25.82 20.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 107.999 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.525 ' CG ' ' HA ' ' A' ' 116' ' ' GLN . 0.0 OUTLIER -84.43 -22.39 30.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -93.39 -42.56 9.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.663 HG12 ' O ' ' A' ' 117' ' ' PHE . 9.8 p -69.82 119.39 71.02 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.6 ' O ' HG12 ' A' ' 126' ' ' VAL . 18.2 Cg_endo -75.04 167.92 25.95 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.444 1.76 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.554 ' HA ' HG12 ' A' ' 126' ' ' VAL . 0.0 OUTLIER -76.16 1.34 16.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -101.07 -13.84 18.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.515 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 29.3 mmtt -104.15 -26.96 12.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.907 HG21 ' CZ3' ' A' ' 118' ' ' TRP . 11.7 p -94.39 140.85 15.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' MET . . . . . 0.451 ' HG2' ' N ' ' A' ' 128' ' ' GLU . 66.6 ttp -80.31 157.36 26.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.451 ' N ' ' HG2' ' A' ' 127' ' ' MET . 62.5 mt-10 -143.89 110.4 5.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' HIS . . . . . 0.471 ' HD2' HG21 ' A' ' 21' ' ' ILE . 70.7 t60 -121.77 116.15 23.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.61 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.673 ' HD2' HD23 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -88.35 138.24 31.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.309 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.792 HD22 HD13 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -110.09 145.93 36.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.5 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 3.4 ptt180 -113.57 142.95 45.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 110.315 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 25.4 p -88.34 135.01 33.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 108.297 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -92.19 106.67 18.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.607 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 68.2 p -129.88 137.38 50.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.368 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 136' ' ' VAL . 27.8 m -103.05 71.77 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -63.01 -58.77 6.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 28.3 m 39.7 90.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.98 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.19 154.95 43.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.014 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.86 151.38 4.12 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -176.61 2.95 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.471 1.774 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 1.4 m120 55.68 167.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 56.7 p -144.84 114.83 7.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.979 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 5.4 tp -170.5 67.6 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -175.1 163.14 3.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -138.75 102.68 4.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 8.4 t -177.78 161.2 1.6 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.476 1.11 . . . . 0.0 109.971 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 100.01 83.63 1.75 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 111.028 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 169.44 22.61 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.512 1.796 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 3.9 m -42.46 162.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.024 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 7.5 t -62.51 101.83 0.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.017 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 -179.986 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.11 159.86 37.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 0.757 . . . . 0.0 110.016 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t 61.68 94.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.971 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.62 -110.27 2.65 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.4 p -85.54 -62.31 1.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.759 . . . . 0.0 109.947 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 68.18 156.04 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.991 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.13 -155.71 20.44 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.131 . . . . 0.0 110.959 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.34 172.15 10.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.4 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -91.71 142.73 26.99 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 9' ' ' LYS . 18.4 Cg_endo -74.99 128.91 11.87 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.539 1.81 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.23 96.8 8.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.4 m -108.7 133.86 52.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 109.993 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.49 HG22 ' CE ' ' A' ' 15' ' ' LYS . 0.6 OUTLIER -129.12 141.15 47.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -73.58 96.39 2.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.656 ' HD3' ' CD2' ' A' ' 20' ' ' HIS . 9.2 mmtp -58.92 104.92 0.27 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.359 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.35 155.71 21.44 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.442 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.3 Cg_endo -75.03 -17.97 19.04 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.542 1.812 . . . . 0.0 110.97 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.627 ' HA ' HG23 ' A' ' 47' ' ' THR . 3.8 mt -119.88 -75.13 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.747 HD22 ' OD1' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -110.02 127.56 54.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.656 ' CD2' ' HD3' ' A' ' 15' ' ' LYS . 0.3 OUTLIER -79.48 124.64 28.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.606 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.904 HG21 ' CD2' ' A' ' 129' ' ' HIS . 1.4 mm -95.03 141.24 15.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.168 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.47 ' O ' HG23 ' A' ' 41' ' ' ILE . 1.2 t -149.07 130.26 7.17 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.085 . . . . 0.0 109.998 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.455 ' C ' ' HA ' ' A' ' 22' ' ' SER . 18.5 Cg_endo -74.99 -162.53 2.81 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 121.016 -2.493 . . . . 0.0 110.998 0.015 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.86 -93.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.419 ' HB2' ' CG ' ' A' ' 132' ' ' ARG . 0.7 OUTLIER -129.45 55.05 1.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -163.27 103.42 0.97 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.795 ' HG ' HD12 ' A' ' 131' ' ' LEU . 27.4 mt -97.78 135.25 39.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.457 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 11.0 m-85 -109.46 109.25 20.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.659 ' CG ' HG11 ' A' ' 90' ' ' VAL . 82.5 m-85 -102.71 82.71 2.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 111.02 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.43 ' N ' ' HA ' ' A' ' 37' ' ' LYS . . . 128.13 53.9 0.12 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.472 1.108 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.8 t -120.46 140.43 51.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 0.766 . . . . 0.0 109.997 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.547 HG22 ' HG2' ' A' ' 33' ' ' GLU . 15.6 mm -43.23 147.97 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.547 ' HG2' HG22 ' A' ' 32' ' ' ILE . 2.1 mt-10 85.05 -46.26 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.324 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.29 -17.68 61.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.162 . . . . 0.0 109.968 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.85 -122.43 6.26 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -51.2 -177.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 0.741 . . . . 0.0 110.267 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.43 ' HA ' ' N ' ' A' ' 30' ' ' GLY . 9.3 mttt -83.45 52.05 2.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.434 ' HG2' ' N ' ' A' ' 39' ' ' THR . 0.0 OUTLIER -119.12 145.84 45.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.26 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.575 ' OG1' HD22 ' A' ' 27' ' ' LEU . 8.9 t -109.15 158.9 17.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 110.369 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.506 ' CD1' ' C ' ' A' ' 80' ' ' ILE . 0.8 OUTLIER -132.29 116.66 17.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 109.305 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.919 HD13 HD11 ' A' ' 98' ' ' ILE . 77.0 mt -90.24 139.49 17.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.2 t -114.54 133.03 61.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.359 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.861 ' HB2' HG22 ' A' ' 78' ' ' ILE . 45.6 mt -116.8 101.91 8.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.417 ' C ' HD13 ' A' ' 19' ' ' LEU . 1.0 OUTLIER -93.83 104.35 16.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.385 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.747 ' OD1' HD22 ' A' ' 19' ' ' LEU . 25.8 t30 -75.9 106.23 7.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.463 HG11 ' CE1' ' A' ' 20' ' ' HIS . 26.5 m -82.29 -41.54 18.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.627 HG23 ' HA ' ' A' ' 18' ' ' LEU . 2.0 p -46.03 155.46 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.431 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.3 tptt -94.55 28.41 2.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.246 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.571 ' O ' HG23 ' A' ' 51' ' ' VAL . 14.6 m-80 -151.5 134.84 16.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.43 ' CG1' ' HD3' ' A' ' 74' ' ' PRO . 59.1 mt -38.79 148.1 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.979 HG22 ' HA ' ' A' ' 102' ' ' GLU . 54.4 t -139.0 128.35 30.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.374 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.563 ' HB3' ' HE2' ' A' ' 117' ' ' PHE . . . -84.68 133.54 34.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.741 ' CE2' HD13 ' A' ' 78' ' ' ILE . 28.0 p90 -127.06 145.56 50.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 111.056 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.52 ' HD2' ' CE2' ' A' ' 118' ' ' TRP . 17.8 mttt -140.41 128.58 22.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.654 HG13 HG13 ' A' ' 98' ' ' ILE . 25.5 t -106.38 128.67 60.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.466 ' NE ' ' SD ' ' A' ' 99' ' ' MET . 0.0 OUTLIER -137.9 146.41 43.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 110.312 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.3 t -127.04 165.33 19.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.429 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 29.0 p -75.91 -0.36 21.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.344 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.804 ' HB1' ' HD3' ' A' ' 62' ' ' LYS . . . -153.32 75.28 6.57 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 0.23 9.15 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.517 1.798 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -106.22 10.61 31.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.266 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.804 ' HD3' ' HB1' ' A' ' 59' ' ' ALA . 10.5 mtpt -123.47 -47.4 1.98 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -101.55 145.33 29.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.978 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -101.6 101.2 11.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.3 t -98.05 125.14 51.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.259 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.5 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.4 OUTLIER -162.45 131.2 2.98 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.346 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.755 ' HD2' HD13 ' A' ' 80' ' ' ILE . 18.5 Cg_endo -74.97 134.83 37.69 Favored 'Cis proline' 0 C--N 1.359 1.124 0 C-N-CA 121.021 -2.491 . . . . 0.0 110.997 0.05 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.48 ' O ' ' CB ' ' A' ' 69' ' ' ASN . 87.0 p -112.78 50.18 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.018 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.48 ' CB ' ' O ' ' A' ' 68' ' ' SER . 2.1 m-20 156.61 95.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -176.72 -162.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.988 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 94.3 p -136.86 158.28 44.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.987 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 46.0 t -120.0 119.45 33.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 108.328 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -55.1 162.11 2.17 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.43 ' HD3' ' CG1' ' A' ' 50' ' ' ILE . 18.5 Cg_endo -75.01 139.49 24.32 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.466 1.772 . . . . 0.0 111.041 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.47 30.96 73.32 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -135.8 -178.63 5.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 0.745 . . . . 0.0 109.295 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.404 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 2.9 p -144.11 135.72 25.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.966 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.861 HG22 ' HB2' ' A' ' 43' ' ' LEU . 1.0 OUTLIER -104.74 171.46 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -131.59 117.19 18.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.36 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.755 HD13 ' HD2' ' A' ' 67' ' ' PRO . 3.4 mm -113.89 106.03 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.246 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.41 HD12 ' CD1' ' A' ' 40' ' ' LEU . 2.1 mp -78.65 146.63 7.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.676 HG11 ' CZ ' ' A' ' 96' ' ' PHE . 55.7 t -141.15 97.72 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.168 . . . . 0.0 109.266 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -111.4 125.74 29.91 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.162 . . . . 0.0 109.969 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 85' ' ' HIS . 18.4 Cg_endo -74.98 107.21 2.43 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.516 1.798 . . . . 0.0 111.04 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.478 ' HB2' HD21 ' A' ' 88' ' ' LEU . 0.1 OUTLIER 39.61 -158.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.63 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -130.5 39.75 1.76 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.534 1.146 . . . . 0.0 110.984 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -176.03 -55.03 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.478 HD21 ' HB2' ' A' ' 85' ' ' HIS . 4.3 pp -59.18 -167.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.446 ' OG1' ' N ' ' A' ' 90' ' ' VAL . 0.8 OUTLIER -137.6 173.56 11.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 0.0 110.41 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.659 HG11 ' CG ' ' A' ' 29' ' ' PHE . 10.8 p -102.84 138.34 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.7 m -124.15 177.6 5.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 109.976 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -92.7 36.9 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -109.03 -30.37 8.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.27 170.85 8.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.53 157.95 43.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.349 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.676 ' CZ ' HG11 ' A' ' 82' ' ' VAL . 62.7 m-85 -114.26 152.41 31.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 111.023 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.765 HD21 ' HB3' ' A' ' 128' ' ' GLU . 3.4 tm? -133.24 136.93 45.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.919 HD11 HD13 ' A' ' 41' ' ' ILE . 3.2 mt -128.18 138.13 55.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.484 ' HE3' ' CZ3' ' A' ' 118' ' ' TRP . 13.0 mtp -112.58 153.74 27.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.522 ' HB1' ' HB2' ' A' ' 19' ' ' LEU . . . -161.52 119.57 2.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.652 ' HB1' HG21 ' A' ' 121' ' ' VAL . . . -134.98 131.23 36.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.979 ' HA ' HG22 ' A' ' 51' ' ' VAL . 1.6 tt0 -69.87 130.87 43.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.313 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.631 ' CG ' ' CE2' ' A' ' 117' ' ' PHE . 35.3 mtp -98.28 170.94 8.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 111.033 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -77.37 -143.13 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -55.09 -168.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.319 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.6 m -53.09 111.81 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.995 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 83.7 p -87.63 -178.21 6.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.107 . . . . 0.0 109.999 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -107.09 -13.88 20.25 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.473 1.108 . . . . 0.0 110.966 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 80.2 p 45.2 70.06 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.773 . . . . 0.0 110.402 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.418 ' O ' ' CG ' ' A' ' 114' ' ' LEU . . . -135.23 -168.83 11.72 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.544 1.152 . . . . 0.0 111.031 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -20.73 16.54 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.492 1.785 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -92.45 -70.95 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 112' ' ' ALA . 2.9 mm-40 -37.7 -45.63 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 110.295 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 117' ' ' PHE . 79.1 mt -61.12 -65.95 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.337 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.492 ' O ' ' CG ' ' A' ' 119' ' ' LYS . 0.2 OUTLIER -49.47 -28.29 5.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.957 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.521 ' HA ' ' CG ' ' A' ' 119' ' ' LYS . 2.2 mt-30 -82.51 -30.21 29.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.311 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.631 ' CE2' ' CG ' ' A' ' 103' ' ' MET . 29.7 t80 -86.65 -24.17 25.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 111.071 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' TRP . . . . . 0.583 ' HA ' HG12 ' A' ' 121' ' ' VAL . 54.5 m95 -87.65 -20.99 25.55 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.516 1.135 . . . . 0.0 108.022 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.521 ' CG ' ' HA ' ' A' ' 116' ' ' GLN . 0.0 OUTLIER -89.85 -26.52 20.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.463 ' CG ' ' HD2' ' A' ' 119' ' ' LYS . 2.6 mt-10 -88.71 -38.99 14.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.336 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.652 HG21 ' HB1' ' A' ' 101' ' ' ALA . 7.2 p -68.29 124.75 90.51 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.484 ' HG2' ' CG ' ' A' ' 125' ' ' LYS . 18.4 Cg_endo -74.93 144.24 30.29 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.485 1.782 . . . . 0.0 111.028 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.518 ' CD ' ' N ' ' A' ' 124' ' ' ASN . 0.0 OUTLIER -49.3 -19.89 0.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 110.278 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.518 ' N ' ' CD ' ' A' ' 123' ' ' ARG . 2.5 t30 -73.88 -33.13 63.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.35 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.484 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 24.7 mmtt -93.73 0.19 56.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.25 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.494 HG13 ' HZ3' ' A' ' 118' ' ' TRP . 74.8 t -94.1 107.94 19.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' MET . . . . . 0.442 ' SD ' ' HD2' ' A' ' 17' ' ' PRO . 39.9 ttp -83.65 113.03 20.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 111.016 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.765 ' HB3' HD21 ' A' ' 97' ' ' LEU . 16.5 mt-10 -106.81 127.69 53.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' HIS . . . . . 0.904 ' CD2' HG21 ' A' ' 21' ' ' ILE . 71.8 t60 -120.62 128.3 52.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.592 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.574 ' HD2' HD23 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -100.37 118.68 37.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.148 . . . . 0.0 110.306 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.795 HD12 ' HG ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -92.52 142.7 27.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 27' ' ' LEU . 2.5 mmt85 -105.95 160.06 15.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.27 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 11.4 t -98.69 135.05 40.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 108.29 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 27' ' ' LEU . 0.3 OUTLIER -103.51 100.3 10.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.571 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 8.7 p -86.11 127.9 34.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.409 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 17.6 m -107.87 68.8 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -155.7 169.98 23.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 22.0 m -159.8 118.77 2.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.023 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 75.4 m 63.18 154.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 110.012 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -158.35 172.74 5.75 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 80.1 2.52 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.501 1.79 . . . . 0.0 110.98 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 43.99 88.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 3.7 t -174.46 66.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 109.987 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.694 HD23 ' H ' ' A' ' 145' ' ' MET . 0.4 OUTLIER -160.9 -44.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.694 ' H ' HD23 ' A' ' 144' ' ' LEU . 0.0 OUTLIER 65.87 137.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.988 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 35.3 mt -47.79 97.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.81 133.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.998 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 113.96 104.01 2.58 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.476 1.11 . . . . 0.0 110.966 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.99 168.88 23.86 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.532 1.807 . . . . 0.0 111.023 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.69 150.66 46.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.997 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.54 166.61 32.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 0.0 110.047 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 -180.0 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m 46.34 84.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 0.751 . . . . 0.0 109.993 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.4 m -154.37 150.37 27.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.983 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.24 152.0 5.54 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.48 1.112 . . . . 0.0 110.953 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m -92.44 153.94 18.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 0.797 . . . . 0.0 110.04 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 62.2 169.47 0.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.147 . . . . 0.0 109.991 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.69 -121.8 1.34 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.504 1.128 . . . . 0.0 110.989 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.2 mttt 69.78 161.67 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 0.78 . . . . 0.0 109.32 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.19 161.69 23.36 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 116.46 4.6 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.501 1.79 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -167.1 105.11 0.56 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.3 m -135.69 151.24 49.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 110.006 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.602 HG22 ' CE ' ' A' ' 15' ' ' LYS . 0.6 OUTLIER -127.25 143.47 40.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -74.16 96.44 2.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.602 ' CE ' HG22 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -56.86 104.89 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 109.304 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -94.02 155.48 21.96 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.512 1.133 . . . . 0.0 111.011 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -19.31 17.91 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.463 1.77 . . . . 0.0 111.011 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.569 ' HA ' HG23 ' A' ' 47' ' ' THR . 5.4 mt -120.97 -76.05 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.579 ' HB2' ' HB1' ' A' ' 100' ' ' ALA . 0.0 OUTLIER -109.83 135.09 51.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.572 ' CE1' HG11 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -79.36 156.23 28.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.592 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.656 HD13 ' CD2' ' A' ' 43' ' ' LEU . 1.7 mm -128.32 130.44 69.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.531 ' O ' HG23 ' A' ' 41' ' ' ILE . 0.3 OUTLIER -145.28 132.45 10.15 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.054 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 22' ' ' SER . 18.4 Cg_endo -74.99 168.33 77.76 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 121.031 -2.487 . . . . 0.0 111.019 0.045 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.425 ' O ' ' O ' ' A' ' 23' ' ' PRO . . . -47.05 -96.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.508 ' O ' ' CG ' ' A' ' 132' ' ' ARG . 39.3 mt-10 -130.66 62.37 1.6 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.152 . . . . 0.0 110.325 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.422 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 0.4 OUTLIER -164.05 103.26 0.88 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 1.076 HD22 HD22 ' A' ' 131' ' ' LEU . 0.1 OUTLIER -91.2 143.79 26.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -132.37 96.26 3.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 110.949 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.535 ' CE2' HG22 ' A' ' 39' ' ' THR . 84.4 m-85 -89.72 96.23 10.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -158.32 48.0 0.44 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.407 ' O ' ' O ' ' A' ' 35' ' ' GLY . 2.9 t -97.9 153.54 18.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.575 0.809 . . . . 0.0 109.962 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 34' ' ' SER . 2.9 mp -136.72 156.4 35.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 68.17 -61.61 0.38 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 110.286 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 32' ' ' ILE . 0.6 OUTLIER -90.1 31.37 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.019 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 31' ' ' SER . . . 129.96 131.72 3.37 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.537 1.148 . . . . 0.0 110.969 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -90.15 96.53 10.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 0.756 . . . . 0.0 110.257 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.9 mttt 68.2 59.11 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.575 ' HD2' HG23 ' A' ' 81' ' ' ILE . 0.2 OUTLIER -127.49 142.64 51.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.535 HG22 ' CE2' ' A' ' 29' ' ' PHE . 6.2 t -111.37 158.33 19.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.401 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.598 HD12 ' N ' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -128.7 118.55 23.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.598 ' N ' HD12 ' A' ' 40' ' ' LEU . 62.7 mt -90.8 151.92 3.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 t -126.09 137.49 57.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.783 ' HB2' HG22 ' A' ' 78' ' ' ILE . 16.2 mt -124.28 110.17 14.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -98.09 110.64 23.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.403 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 72' ' ' CYS . 13.6 t-20 -78.88 106.77 11.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.572 HG11 ' CE1' ' A' ' 20' ' ' HIS . 12.8 m -82.81 -39.06 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.412 1.07 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.569 HG23 ' HA ' ' A' ' 18' ' ' LEU . 1.6 p -51.32 152.37 2.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.439 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -92.82 29.58 1.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.629 ' O ' HG23 ' A' ' 51' ' ' VAL . 21.5 m-80 -151.07 136.56 17.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 49' ' ' ASN . 25.8 mt -39.18 145.48 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.81 HG22 ' HA ' ' A' ' 102' ' ' GLU . 76.3 t -137.7 123.57 26.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.467 ' HB3' ' HE2' ' A' ' 117' ' ' PHE . . . -81.6 121.26 26.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.891 ' CE2' HD13 ' A' ' 78' ' ' ILE . 25.7 p90 -110.33 163.09 13.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.971 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.449 ' HB2' ' HE2' ' A' ' 99' ' ' MET . 15.1 mttm -157.86 154.13 27.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.647 HG21 HG21 ' A' ' 80' ' ' ILE . 21.6 t -134.22 124.73 46.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.55 ' HG3' ' HB3' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -130.89 166.29 21.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.439 ' OG1' ' N ' ' A' ' 58' ' ' THR . 1.9 t -151.64 176.01 11.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 110.411 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.439 ' N ' ' OG1' ' A' ' 57' ' ' THR . 7.7 p -88.49 21.78 2.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 110.419 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.79 ' HB1' ' CD ' ' A' ' 62' ' ' LYS . . . -165.01 74.39 1.45 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 7.31 2.91 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.446 1.761 . . . . 0.0 110.971 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -125.4 20.85 7.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.79 ' CD ' ' HB1' ' A' ' 59' ' ' ALA . 3.9 mttm -134.46 -47.54 0.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -106.9 118.58 37.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.92 119.88 25.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.137 . . . . 0.0 110.351 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.751 HG13 HG22 ' A' ' 82' ' ' VAL . 2.2 t -115.53 132.15 65.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.521 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.4 OUTLIER -161.93 134.32 4.28 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.845 ' HD2' HD13 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -75.02 133.15 30.1 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 121.0 -2.5 . . . . 0.0 110.982 0.028 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.432 ' N ' ' HA ' ' A' ' 66' ' ' LYS . 88.8 p -112.98 42.5 1.87 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 110.013 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.447 ' N ' ' OD1' ' A' ' 69' ' ' ASN . 9.0 p-10 167.2 84.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.107 . . . . 0.0 109.348 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.09 -169.35 0.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 110.007 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 93.8 p -132.2 158.55 41.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.968 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.578 ' HB3' HD21 ' A' ' 19' ' ' LEU . 51.8 t -119.34 125.09 48.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 108.297 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.55 162.7 10.71 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.437 1.086 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 139.08 23.77 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.502 1.79 . . . . 0.0 110.969 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.63 35.49 86.18 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -139.05 -178.56 5.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 0.731 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 2.2 p -142.59 134.66 27.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.983 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.891 HD13 ' CE2' ' A' ' 53' ' ' PHE . 1.1 tt -105.05 169.23 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -128.12 119.82 26.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.845 HD13 ' HD2' ' A' ' 67' ' ' PRO . 2.7 mm -116.1 104.58 16.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.575 HG23 ' HD2' ' A' ' 38' ' ' LYS . 2.3 mp -77.96 146.51 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.751 HG22 HG13 ' A' ' 65' ' ' VAL . 96.3 t -136.82 98.22 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.253 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -116.94 124.28 29.37 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 110.017 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.462 ' HG3' ' CG1' ' A' ' 90' ' ' VAL . 18.4 Cg_endo -75.0 175.83 10.72 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.431 1.753 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.763 ' HB2' HD21 ' A' ' 88' ' ' LEU . 1.1 m-70 -63.29 111.02 2.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.625 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -42.85 92.95 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.51 1.131 . . . . 0.0 111.05 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 85' ' ' HIS . . . 146.45 -71.0 0.35 Allowed Glycine 0 CA--C 1.529 0.955 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.763 HD21 ' HB2' ' A' ' 85' ' ' HIS . 4.2 pp -60.94 -170.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 0.747 . . . . 0.0 109.25 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.461 ' OG1' ' N ' ' A' ' 90' ' ' VAL . 1.7 t -127.11 177.58 6.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.4 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.462 ' CG1' ' HG3' ' A' ' 84' ' ' PRO . 3.3 m -100.81 5.42 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.363 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.4 m 40.04 -156.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.949 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -128.41 18.17 6.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -112.12 -24.23 9.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.138 . . . . 0.0 110.274 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -59.45 139.17 57.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.244 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.69 142.43 51.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.458 ' O ' ' N ' ' A' ' 131' ' ' LEU . 39.2 m-85 -116.87 142.99 46.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.829 HD13 ' N ' ' A' ' 98' ' ' ILE . 1.7 tm? -128.46 147.29 50.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.341 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.829 ' N ' HD13 ' A' ' 97' ' ' LEU . 3.3 mt -135.43 131.31 51.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.461 ' HG3' HD11 ' A' ' 97' ' ' LEU . 2.0 mtp -107.79 154.44 21.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.579 ' HB1' ' HB2' ' A' ' 19' ' ' LEU . . . -161.44 117.59 2.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.792 ' HB2' HG23 ' A' ' 126' ' ' VAL . . . -128.78 132.99 47.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.81 ' HA ' HG22 ' A' ' 51' ' ' VAL . 1.2 tt0 -69.9 121.51 17.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.632 ' CG ' ' CZ ' ' A' ' 117' ' ' PHE . 9.6 mtp -85.33 171.47 11.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 111.025 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -81.07 -170.32 2.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -49.59 -84.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.353 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.15 122.01 25.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.979 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.761 ' O ' HG23 ' A' ' 109' ' ' THR . 13.3 m -124.76 104.17 8.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.985 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 109' ' ' THR . . . -52.06 -19.92 5.99 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.761 HG23 ' O ' ' A' ' 107' ' ' SER . 51.6 p 38.04 51.35 1.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 0.758 . . . . 0.0 110.391 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.723 ' O ' HD12 ' A' ' 114' ' ' LEU . . . -120.6 -168.68 13.71 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.5 1.125 . . . . 0.0 110.971 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -28.1 9.43 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.555 1.818 . . . . 0.0 111.026 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -87.5 -67.7 0.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 117' ' ' PHE . 1.5 mm-40 -38.28 -47.3 1.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.723 HD12 ' O ' ' A' ' 110' ' ' GLY . 78.2 mt -60.04 -66.1 0.57 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.73 -33.69 3.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 110.032 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.525 ' HA ' ' CG ' ' A' ' 119' ' ' LYS . 2.0 mt-30 -80.14 -32.12 38.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.258 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.632 ' CZ ' ' CG ' ' A' ' 103' ' ' MET . 75.5 t80 -84.2 -18.6 36.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 111.067 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' TRP . . . . . 0.898 ' CZ3' HG21 ' A' ' 126' ' ' VAL . 55.1 m95 -92.37 -26.49 18.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 107.99 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.525 ' CG ' ' HA ' ' A' ' 116' ' ' GLN . 0.0 OUTLIER -83.62 -23.51 31.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -92.15 -41.65 10.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 110.296 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.651 HG12 ' HA ' ' A' ' 118' ' ' TRP . 9.9 p -69.26 119.45 70.42 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.6 ' O ' HG12 ' A' ' 126' ' ' VAL . 18.1 Cg_endo -75.02 170.02 21.34 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.472 1.775 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.563 ' HA ' HG12 ' A' ' 126' ' ' VAL . 0.0 OUTLIER -77.63 0.66 22.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -100.46 -13.89 18.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.514 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 30.1 mmtt -104.25 -26.93 12.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.898 HG21 ' CZ3' ' A' ' 118' ' ' TRP . 14.9 p -95.65 140.17 17.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' MET . . . . . 0.45 ' O ' ' HA ' ' A' ' 99' ' ' MET . 66.9 ttp -81.47 156.1 25.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.482 ' HB3' HD21 ' A' ' 97' ' ' LEU . 40.6 mt-10 -142.43 113.8 7.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 110.311 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' HIS . . . . . 0.642 ' HD2' HG21 ' A' ' 21' ' ' ILE . 84.0 t60 -119.98 126.51 51.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 109.639 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.418 ' HD2' HD23 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -98.32 125.25 43.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.287 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 1.076 HD22 HD22 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -99.62 144.37 28.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.157 . . . . 0.0 109.302 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.508 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 7.7 ptp180 -115.24 154.75 28.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.282 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' CYS . . . . . 0.417 ' SG ' HG21 ' A' ' 90' ' ' VAL . 1.9 t -91.87 144.61 25.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 108.29 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -116.96 71.84 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.597 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 5.5 p -104.07 -156.76 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.388 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -157.66 121.06 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.248 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -178.53 156.95 0.95 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.52 1.137 . . . . 0.0 110.262 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 10.6 p -165.79 162.33 18.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.989 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.86 -70.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.975 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt 62.45 128.65 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -172.46 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.477 1.777 . . . . 0.0 110.982 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -82.68 158.45 22.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.5 t -177.93 146.41 0.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.029 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -135.48 79.27 1.77 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -168.45 138.23 2.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.946 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 2.7 mp -84.11 126.26 32.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.34 119.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.969 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 131.39 108.35 1.19 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.517 1.135 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 104.86 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.529 1.805 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.45 164.9 6.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 109.967 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.82 141.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.989 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.545 1.153 . . . . 0.0 111.005 179.99 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -171.15 85.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 0.794 . . . . 0.0 110.006 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m 63.2 145.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 110.007 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.54 159.16 7.81 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.497 1.123 . . . . 0.0 110.955 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -158.65 94.31 1.24 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 0.764 . . . . 0.0 110.013 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 t -94.84 143.67 26.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 109.974 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.89 -66.85 0.38 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.52 141.76 50.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 0.74 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.7 163.55 42.25 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 154.63 42.37 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.549 1.815 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.475 HD22 ' HA ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -75.32 115.36 14.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.2 m -58.6 132.97 55.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.943 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.752 HG22 ' OG ' ' A' ' 22' ' ' SER . 65.2 t -137.16 133.05 47.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.519 ' CG ' ' CE1' ' A' ' 129' ' ' HIS . 53.5 t80 -75.6 94.87 3.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.478 ' HG3' ' NE2' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -63.93 84.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.17 154.64 46.56 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.48 1.113 . . . . 0.0 111.014 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.5 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.2 Cg_endo -75.01 -18.5 18.66 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.471 1.774 . . . . 0.0 110.97 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.62 ' HA ' HG23 ' A' ' 47' ' ' THR . 0.4 OUTLIER -125.04 -69.31 0.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.748 HD23 ' CG1' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -109.64 128.81 55.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.248 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.478 ' NE2' ' HG3' ' A' ' 15' ' ' LYS . 0.2 OUTLIER -82.95 120.38 25.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.631 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.964 HG21 ' CD2' ' A' ' 129' ' ' HIS . 1.5 mm -94.16 136.49 25.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.752 ' OG ' HG22 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -145.1 129.21 8.79 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.026 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.524 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 18.2 Cg_endo -75.04 -161.67 2.56 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 120.994 -2.503 . . . . 0.0 110.965 0.049 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.58 -107.28 0.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.452 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 0.3 OUTLIER -100.69 65.13 1.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.327 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.524 ' O ' ' HG2' ' A' ' 23' ' ' PRO . 0.0 OUTLIER -163.98 146.85 9.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.298 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.711 ' HG ' HG21 ' A' ' 39' ' ' THR . 1.0 OUTLIER -147.63 123.0 10.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -121.25 102.59 8.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 111.046 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.432 ' CE2' HG12 ' A' ' 82' ' ' VAL . 9.0 m-85 -86.37 92.99 8.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -128.27 176.44 18.15 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.53 1.144 . . . . 0.0 111.028 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 m -100.42 124.44 45.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 0.799 . . . . 0.0 110.032 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 43.9 mt -63.36 -66.22 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -138.16 -64.11 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.2 t -119.5 17.52 12.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.028 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -93.59 -141.51 11.06 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.548 1.155 . . . . 0.0 110.959 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 38' ' ' LYS . 0.7 OUTLIER -156.6 177.11 11.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 110.329 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -50.53 92.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.291 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.556 ' HD2' HG23 ' A' ' 81' ' ' ILE . 0.2 OUTLIER -150.16 142.31 24.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.711 HG21 ' HG ' ' A' ' 27' ' ' LEU . 14.5 t -110.31 163.82 13.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.112 . . . . 0.0 110.371 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.504 ' CD1' ' C ' ' A' ' 80' ' ' ILE . 0.3 OUTLIER -132.76 117.65 18.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.232 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.902 HD13 HD11 ' A' ' 98' ' ' ILE . 21.5 mt -92.52 130.92 40.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 t -106.07 133.13 51.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.868 ' HB2' HG22 ' A' ' 78' ' ' ILE . 27.8 mt -116.04 101.16 8.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -91.22 108.56 19.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.415 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.441 ' CG ' ' HA ' ' A' ' 74' ' ' PRO . 52.4 t-20 -78.57 106.05 10.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.472 HG11 ' CE1' ' A' ' 20' ' ' HIS . 35.6 m -85.78 -39.25 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.62 HG23 ' HA ' ' A' ' 18' ' ' LEU . 1.6 p -51.7 154.96 1.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.406 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.93 29.76 2.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.58 ' O ' HG23 ' A' ' 51' ' ' VAL . 7.5 m-80 -152.07 137.01 17.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.269 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.415 ' C ' ' O ' ' A' ' 49' ' ' ASN . 23.8 mt -38.85 148.35 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.777 HG22 ' HA ' ' A' ' 102' ' ' GLU . 73.6 t -138.77 123.1 20.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.603 ' HB3' ' HE2' ' A' ' 117' ' ' PHE . . . -84.39 131.9 34.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.355 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.614 ' CE2' HD13 ' A' ' 78' ' ' ILE . 44.4 p90 -124.39 144.56 49.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.992 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.57 ' HE3' ' CD1' ' A' ' 118' ' ' TRP . 9.5 mttt -137.49 124.25 21.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 1.03 HG21 HG21 ' A' ' 80' ' ' ILE . 39.9 t -95.13 121.99 46.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -126.73 141.57 51.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.532 1.145 . . . . 0.0 110.304 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.506 HG23 ' H ' ' A' ' 59' ' ' ALA . 5.1 t -135.48 170.89 15.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 110.375 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 24.1 p -88.26 21.22 2.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.415 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.775 ' HB1' ' HB2' ' A' ' 62' ' ' LYS . . . -164.65 75.32 1.53 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.127 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -1.24 10.98 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.53 1.805 . . . . 0.0 110.965 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.467 ' O ' ' CD2' ' A' ' 85' ' ' HIS . 14.1 pt-20 -118.82 12.1 12.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.775 ' HB2' ' HB1' ' A' ' 59' ' ' ALA . 20.1 mttt -124.79 -50.2 1.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.356 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.574 ' CD2' ' HB3' ' A' ' 59' ' ' ALA . 31.1 m-85 -102.64 115.22 30.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 110.969 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.28 106.81 13.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.325 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.918 HG13 HG22 ' A' ' 82' ' ' VAL . 2.1 t -104.51 132.43 51.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.51 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.0 OUTLIER -163.01 134.51 3.79 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.753 ' HD2' HD13 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -74.99 133.68 32.5 Favored 'Cis proline' 0 C--N 1.359 1.12 0 C-N-CA 121.024 -2.49 . . . . 0.0 111.038 -0.029 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.415 ' HB3' ' O ' ' A' ' 65' ' ' VAL . 88.6 p -110.97 45.43 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.983 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 68' ' ' SER . 0.6 OUTLIER 164.11 88.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.438 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 3.3 t -173.37 -177.34 1.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.006 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 54.4 p -124.51 158.31 33.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.018 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 44.4 t -118.2 116.4 26.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 108.304 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -53.02 161.97 1.13 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.441 ' HA ' ' CG ' ' A' ' 45' ' ' ASN . 18.3 Cg_endo -75.04 138.73 23.3 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.65 32.87 71.03 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -138.46 -179.16 5.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 0.745 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.5 p -143.54 134.47 25.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.999 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.868 HG22 ' HB2' ' A' ' 43' ' ' LEU . 1.1 tt -104.78 169.96 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -128.77 118.38 22.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 1.03 HG21 HG21 ' A' ' 55' ' ' VAL . 3.7 mm -114.55 111.54 36.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.556 HG23 ' HD2' ' A' ' 38' ' ' LYS . 1.9 mp -82.15 147.22 6.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.918 HG22 HG13 ' A' ' 65' ' ' VAL . 64.2 t -140.72 98.52 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 29.5 t -125.04 143.64 44.73 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 110.008 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 171.42 18.35 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.534 1.807 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.467 ' CD2' ' O ' ' A' ' 61' ' ' GLU . 0.1 OUTLIER -49.74 -23.0 1.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.586 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 125.03 -85.35 0.36 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.509 1.13 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -45.1 -68.96 0.83 Allowed Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.458 ' C ' ' CD1' ' A' ' 88' ' ' LEU . 0.1 OUTLIER -54.68 -172.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 0.755 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.453 ' OG1' ' N ' ' A' ' 90' ' ' VAL . 1.4 t -151.78 175.54 12.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.406 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.453 ' N ' ' OG1' ' A' ' 89' ' ' THR . 1.3 m -84.99 135.02 25.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.138 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.42 -168.96 1.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.004 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.473 ' HB2' HG21 ' A' ' 135' ' ' THR . . . -85.66 -9.67 56.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -92.56 -25.77 18.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 110.306 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.571 ' OD1' ' CE2' ' A' ' 63' ' ' TYR . 42.8 t0 -60.12 128.35 36.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.155 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.426 ' HG3' ' N ' ' A' ' 96' ' ' PHE . 7.5 tpp180 -133.16 142.76 48.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.679 ' CZ ' ' CG1' ' A' ' 82' ' ' VAL . 38.4 m-85 -115.47 154.32 29.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.953 HD11 ' HB3' ' A' ' 128' ' ' GLU . 24.7 tp -137.76 146.4 43.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.902 HD11 HD13 ' A' ' 41' ' ' ILE . 3.4 mt -136.71 120.93 24.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.547 ' HB3' ' CH2' ' A' ' 118' ' ' TRP . 9.9 mtm -93.83 156.14 16.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.602 ' HB3' ' HB3' ' A' ' 127' ' ' MET . . . -161.41 121.0 2.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.743 ' HB1' HG21 ' A' ' 121' ' ' VAL . . . -133.41 130.32 38.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.777 ' HA ' HG22 ' A' ' 51' ' ' VAL . 0.7 OUTLIER -70.34 120.4 15.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.557 ' HG2' ' CZ ' ' A' ' 117' ' ' PHE . 12.5 mtp -85.59 171.71 11.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -79.91 -169.83 2.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -52.35 -84.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.266 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.27 121.88 22.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.1 . . . . 0.0 109.973 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.2 m -122.82 130.25 52.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 110.003 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -79.92 -29.75 45.7 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.57 1.169 . . . . 0.0 110.963 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 59.7 p 46.99 70.55 0.39 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.544 0.791 . . . . 0.0 110.389 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.459 ' O ' HD12 ' A' ' 114' ' ' LEU . . . -140.59 -158.78 7.69 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.477 1.111 . . . . 0.0 111.026 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -50.49 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.542 1.812 . . . . 0.0 110.977 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -73.45 -64.09 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.252 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 112' ' ' ALA . 0.5 OUTLIER -34.43 -54.45 0.53 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.327 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.459 HD12 ' O ' ' A' ' 110' ' ' GLY . 73.0 mt -56.57 -64.79 0.75 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.169 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.411 ' O ' ' CG ' ' A' ' 119' ' ' LYS . 0.1 OUTLIER -47.75 -31.6 4.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.003 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.523 ' HA ' ' CG ' ' A' ' 119' ' ' LYS . 1.6 mt-30 -79.33 -31.2 43.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.337 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.607 ' O ' HG12 ' A' ' 121' ' ' VAL . 33.8 t80 -85.38 -21.79 28.69 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' TRP . . . . . 0.597 ' HA ' HG12 ' A' ' 121' ' ' VAL . 60.9 m95 -89.32 -23.39 22.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 108.047 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.523 ' CG ' ' HA ' ' A' ' 116' ' ' GLN . 0.0 OUTLIER -86.99 -27.99 22.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.274 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.46 ' CG ' ' HD2' ' A' ' 119' ' ' LYS . 2.3 mt-10 -86.09 -39.84 16.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.555 1.16 . . . . 0.0 110.316 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.743 HG21 ' HB1' ' A' ' 101' ' ' ALA . 7.4 p -69.04 127.42 93.08 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.831 ' O ' HG23 ' A' ' 126' ' ' VAL . 18.2 Cg_endo -75.03 172.63 16.0 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.486 1.782 . . . . 0.0 111.017 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.68 -20.71 60.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -76.22 -20.07 57.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.09 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.493 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 18.5 mmtt -103.94 -16.48 15.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.091 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.831 HG23 ' O ' ' A' ' 122' ' ' PRO . 41.5 t -78.44 104.8 6.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' MET . . . . . 0.602 ' HB3' ' HB3' ' A' ' 100' ' ' ALA . 22.5 ttp -80.82 99.83 8.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 111.031 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.953 ' HB3' HD11 ' A' ' 97' ' ' LEU . 26.6 mt-10 -97.96 135.75 39.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' HIS . . . . . 0.964 ' CD2' HG21 ' A' ' 21' ' ' ILE . 71.7 t60 -128.51 114.98 17.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.591 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.448 ' HG3' HD13 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -90.11 121.78 32.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.526 ' HB3' HD22 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -93.71 149.47 21.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.326 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.474 ' O ' ' N ' ' A' ' 27' ' ' LEU . 4.7 ptm180 -129.36 149.07 51.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 110.248 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 12.3 t -88.09 156.37 19.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 108.345 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -100.01 68.38 1.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.63 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.473 HG21 ' HB2' ' A' ' 92' ' ' ALA . 3.0 p -55.37 -175.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.371 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.448 ' O ' HG22 ' A' ' 136' ' ' VAL . 9.2 p 42.28 51.92 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -173.85 77.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.69 155.72 0.07 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 109.978 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 3.8 t 76.45 -58.43 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.988 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 7.0 tptt -48.34 130.55 13.11 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 109.345 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 163.6 34.91 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.459 1.768 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 42.3 m-20 -83.95 113.04 20.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 27.7 t -173.0 -56.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.007 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 23.0 tp -134.71 124.1 24.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -134.03 155.0 50.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.567 ' O ' HD12 ' A' ' 146' ' ' LEU . 1.5 pp -152.21 64.68 0.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 4.0 m -43.0 146.82 0.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.997 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -154.01 -155.48 7.24 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 161.18 39.06 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.504 1.792 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 73.2 m 62.73 113.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 110.032 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 7.3 p 56.21 170.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.988 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.477 1.111 . . . . 0.0 110.975 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.35 83.42 0.77 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 0.753 . . . . 0.0 109.998 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.6 p -98.29 105.71 17.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.998 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.9 -168.62 12.83 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.466 1.104 . . . . 0.0 111.018 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.2 p -174.45 136.75 0.47 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 0.746 . . . . 0.0 110.002 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.49 155.54 21.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 110.017 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.11 74.48 0.48 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.452 1.095 . . . . 0.0 110.97 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.92 149.17 0.47 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 0.794 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.2 mttm -45.5 157.36 0.37 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 166.5 29.05 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.47 1.774 . . . . 0.0 111.004 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.8 mp -100.59 108.83 20.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.2 m -114.03 128.94 56.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.032 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.549 HG22 ' HE3' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -124.71 138.45 54.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.559 ' CD2' ' ND1' ' A' ' 129' ' ' HIS . 3.2 t80 -75.15 96.06 3.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.549 ' HE3' HG22 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -52.2 97.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -88.2 157.62 28.27 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.414 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.4 Cg_endo -74.98 -17.53 19.52 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.54 1.811 . . . . 0.0 111.068 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.628 ' HA ' HG23 ' A' ' 47' ' ' THR . 0.3 OUTLIER -128.05 -76.6 0.56 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.652 HD23 ' CG1' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -102.55 127.59 49.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.477 ' O ' ' HA ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -79.65 126.28 30.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.6 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.887 HG21 ' CD2' ' A' ' 129' ' ' HIS . 1.5 mm -95.51 137.36 23.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.474 ' HA ' ' C ' ' A' ' 23' ' ' PRO . 0.3 OUTLIER -146.89 130.71 8.38 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.03 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.515 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 18.4 Cg_endo -75.0 -164.38 3.58 Favored 'Cis proline' 0 C--N 1.36 1.134 0 C-N-CA 121.006 -2.497 . . . . 0.0 111.03 -0.029 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.08 -106.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -110.01 65.37 0.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.323 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.515 ' O ' ' HG2' ' A' ' 23' ' ' PRO . 10.9 pt-20 -163.04 147.29 11.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.319 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.702 HD22 HG21 ' A' ' 39' ' ' THR . 14.5 mt -149.09 133.78 17.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -131.43 101.98 5.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.148 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.682 ' CE1' HG21 ' A' ' 90' ' ' VAL . 19.5 m-85 -82.44 92.09 6.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 153.12 55.76 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 33' ' ' GLU . 52.7 m -68.42 145.29 54.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 0.765 . . . . 0.0 110.013 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 15.8 mt 65.33 -76.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 31' ' ' SER . 2.7 mm-40 -119.76 -178.49 3.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 110.336 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.1 m -98.3 28.12 4.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.973 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -92.39 -58.45 1.36 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.465 1.103 . . . . 0.0 110.975 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -95.41 84.02 3.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 110.304 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -74.35 75.5 1.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.602 ' HD2' HG23 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -142.88 141.89 31.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.702 HG21 HD22 ' A' ' 27' ' ' LEU . 7.8 t -106.09 162.46 13.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.4 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.506 ' CD1' ' C ' ' A' ' 80' ' ' ILE . 0.7 OUTLIER -131.86 116.92 17.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.883 HD13 HD11 ' A' ' 98' ' ' ILE . 21.9 mt -90.81 139.35 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 t -114.53 133.92 59.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.863 ' HB2' HG22 ' A' ' 78' ' ' ILE . 58.6 mt -118.57 104.53 10.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.417 ' C ' HD13 ' A' ' 19' ' ' LEU . 1.2 m -94.66 104.28 16.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.377 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.586 ' OD1' HD22 ' A' ' 19' ' ' LEU . 19.5 t-20 -75.89 106.91 7.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.622 HG22 ' O ' ' A' ' 18' ' ' LEU . 12.5 m -85.09 -38.39 13.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.628 HG23 ' HA ' ' A' ' 18' ' ' LEU . 1.7 p -49.56 155.11 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.414 1.071 . . . . 0.0 110.432 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.28 28.83 3.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.668 ' O ' HG23 ' A' ' 51' ' ' VAL . 6.6 m-80 -149.93 139.62 21.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 103' ' ' MET . 12.3 mt -39.27 140.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.791 HG22 ' HA ' ' A' ' 102' ' ' GLU . 58.4 t -134.54 117.61 24.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.28 133.58 35.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.731 ' CE2' HD13 ' A' ' 78' ' ' ILE . 31.8 p90 -123.99 161.6 25.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.956 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.517 ' HB2' ' HE2' ' A' ' 99' ' ' MET . 0.3 OUTLIER -154.08 148.35 25.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.333 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.801 HG21 HG21 ' A' ' 80' ' ' ILE . 80.5 t -122.13 114.3 42.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -121.27 144.8 48.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.171 . . . . 0.0 110.277 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.9 t -137.28 168.3 19.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.392 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 18.9 p -79.38 3.15 19.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 110.432 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.765 ' HB1' ' HB2' ' A' ' 62' ' ' LYS . . . -150.84 76.61 8.02 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -28.21 9.46 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.476 1.777 . . . . 0.0 111.044 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -88.99 8.93 27.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.258 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.765 ' HB2' ' HB1' ' A' ' 59' ' ' ALA . 14.6 mttm -119.48 -46.15 2.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.112 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.712 ' CE2' ' HB3' ' A' ' 59' ' ' ALA . 44.1 m-85 -105.04 117.2 33.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 111.001 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.78 106.35 11.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.288 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.71 HG11 ' CG1' ' A' ' 55' ' ' VAL . 6.1 t -104.38 131.23 53.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.474 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.0 OUTLIER -162.98 129.12 2.31 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.657 ' HD2' HD13 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -75.03 141.53 72.03 Favored 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 120.998 -2.501 . . . . 0.0 110.982 0.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 87.5 p -113.58 24.76 11.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 110.018 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 62.1 t-20 179.8 109.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.9 -163.65 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.488 1.118 . . . . 0.0 110.031 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.504 ' HG ' ' C ' ' A' ' 51' ' ' VAL . 3.7 t -136.93 167.99 20.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 0.0 110.03 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.443 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 51.7 t -129.41 122.85 30.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 108.307 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -55.66 161.26 3.32 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 134.71 18.14 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.495 1.787 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.67 38.13 51.16 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -143.66 179.95 6.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 0.746 . . . . 0.0 109.303 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 2.3 p -140.84 135.01 30.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.043 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.863 HG22 ' HB2' ' A' ' 43' ' ' LEU . 1.1 tt -105.21 172.27 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.405 ' O ' ' HD2' ' A' ' 67' ' ' PRO . 5.5 m-20 -131.73 125.28 31.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.801 HG21 HG21 ' A' ' 55' ' ' VAL . 4.0 mm -120.56 107.75 21.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.602 HG23 ' HD2' ' A' ' 38' ' ' LYS . 2.0 mp -79.42 143.93 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.611 HG11 ' CZ ' ' A' ' 96' ' ' PHE . 53.9 t -134.47 97.68 2.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.1 t -119.3 135.87 24.21 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.995 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -176.53 2.93 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.495 1.787 . . . . 0.0 110.974 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.46 ' HB2' HD12 ' A' ' 88' ' ' LEU . 1.0 OUTLIER -49.58 177.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.579 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -40.06 -42.23 2.25 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.525 1.141 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -155.74 41.0 0.59 Allowed Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.495 ' HA ' HD23 ' A' ' 88' ' ' LEU . 0.9 OUTLIER -72.28 -160.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 0.762 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.415 ' OG1' ' N ' ' A' ' 90' ' ' VAL . 0.0 OUTLIER -135.88 168.93 18.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.419 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.682 HG21 ' CE1' ' A' ' 29' ' ' PHE . 2.4 p -139.65 84.44 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.02 -162.6 0.62 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.972 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -98.8 27.15 5.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -108.69 -26.68 10.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.591 ' CG ' ' CE2' ' A' ' 63' ' ' TYR . 1.6 t0 -85.6 128.42 34.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.68 142.04 46.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.293 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.611 ' CZ ' HG11 ' A' ' 82' ' ' VAL . 39.2 m-85 -108.18 154.74 21.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.712 HD13 ' N ' ' A' ' 98' ' ' ILE . 2.9 tm? -138.15 144.99 41.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.883 HD11 HD13 ' A' ' 41' ' ' ILE . 4.7 mt -136.74 131.84 47.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.517 ' HE2' ' HB2' ' A' ' 54' ' ' LYS . 3.3 mtp -110.03 152.2 26.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.941 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.515 ' C ' HG23 ' A' ' 126' ' ' VAL . . . -159.45 117.0 2.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.799 ' HB2' ' HB ' ' A' ' 126' ' ' VAL . . . -127.44 135.97 51.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.791 ' HA ' HG22 ' A' ' 51' ' ' VAL . 1.1 tt0 -69.44 117.27 10.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.281 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.577 ' HG2' ' CE1' ' A' ' 117' ' ' PHE . 0.0 OUTLIER -97.8 172.34 7.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.958 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -64.71 -141.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.252 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.422 ' HG3' ' N ' ' A' ' 106' ' ' SER . 19.3 pt20 -111.58 -44.2 3.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.298 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.422 ' N ' ' HG3' ' A' ' 105' ' ' GLN . 0.5 OUTLIER -90.58 120.68 31.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.011 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.533 ' HB2' ' HE1' ' A' ' 103' ' ' MET . 0.0 OUTLIER -171.97 136.81 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.989 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -86.67 -5.63 81.35 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.512 1.132 . . . . 0.0 111.022 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.537 ' HA ' ' CD2' ' A' ' 114' ' ' LEU . 38.2 p 46.2 30.77 1.04 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 0.737 . . . . 0.0 110.396 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.911 ' O ' HD23 ' A' ' 114' ' ' LEU . . . -82.75 -167.17 40.38 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.514 1.134 . . . . 0.0 111.029 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -20.14 17.14 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.52 1.8 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -93.48 -64.27 1.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 112' ' ' ALA . 3.2 mm-40 -38.41 -49.61 1.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.316 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.911 HD23 ' O ' ' A' ' 110' ' ' GLY . 2.5 mm? -53.52 -70.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 114' ' ' LEU . 0.3 OUTLIER -38.76 -43.88 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.008 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -56.87 -62.39 1.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 110.276 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.877 ' O ' HG12 ' A' ' 121' ' ' VAL . 23.1 t80 -56.58 -37.47 70.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 111.028 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' TRP . . . . . 0.791 ' CZ3' HG21 ' A' ' 126' ' ' VAL . 87.9 m95 -72.03 -12.31 61.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 108.027 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.21 -23.62 17.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -98.61 -42.96 7.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.877 HG12 ' O ' ' A' ' 117' ' ' PHE . 9.7 p -69.38 124.18 89.93 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.563 ' HG2' ' CG ' ' A' ' 125' ' ' LYS . 18.4 Cg_endo -74.96 166.57 28.94 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.508 1.794 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.515 ' C ' ' CD ' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -79.26 -1.19 35.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.505 ' N ' ' HD2' ' A' ' 123' ' ' ARG . 0.6 OUTLIER -102.77 -3.49 26.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.563 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 34.8 mmtt -109.25 -28.15 9.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.799 ' HB ' ' HB2' ' A' ' 101' ' ' ALA . 4.4 p -90.61 140.26 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' MET . . . . . 0.47 ' HG2' ' N ' ' A' ' 128' ' ' GLU . 63.1 ttp -79.73 155.49 27.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.47 ' N ' ' HG2' ' A' ' 127' ' ' MET . 50.2 mt-10 -135.18 121.38 20.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.281 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' HIS . . . . . 0.887 ' CD2' HG21 ' A' ' 21' ' ' ILE . 73.0 t60 -122.88 124.46 43.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.602 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.559 ' HD2' HD23 ' A' ' 97' ' ' LEU . 1.0 OUTLIER -101.44 121.62 42.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.622 HD22 ' CD2' ' A' ' 129' ' ' HIS . 0.2 OUTLIER -92.53 145.15 24.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.235 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -117.17 150.26 39.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 3.9 m -88.38 132.65 34.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 108.264 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -96.25 83.43 3.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.541 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 76.4 p -115.3 -168.43 1.39 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.334 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.459 HG22 ' N ' ' A' ' 137' ' ' GLU . 9.9 p -110.07 167.87 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.459 ' N ' HG22 ' A' ' 136' ' ' VAL . 4.8 mp0 -94.08 172.32 8.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.265 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -148.63 176.65 10.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.006 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 31.4 m -136.01 173.58 11.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.988 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.7 151.13 73.72 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 134.33 17.73 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.537 1.809 . . . . 0.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 24.8 t30 55.55 168.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.6 143.55 23.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.022 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 2.5 pp -51.15 -41.85 60.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.05 142.27 44.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 35.2 mt -54.12 100.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 66.6 p -177.31 161.59 1.82 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 0.0 110.0 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 96.71 120.99 3.97 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 169.38 22.75 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.503 1.791 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 32.9 p -115.72 162.6 17.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.959 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 15.6 p -168.58 167.99 11.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 109.995 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 179.974 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.8 t -177.12 116.86 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.775 . . . . 0.0 109.969 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.7 p -47.62 -59.15 3.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.983 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.27 154.76 31.25 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.455 1.097 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -77.87 156.71 30.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 0.742 . . . . 0.0 109.974 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 m -46.2 110.11 0.24 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.97 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.71 105.18 0.19 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.519 1.137 . . . . 0.0 110.969 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.74 -161.15 1.0 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 0.77 . . . . 0.0 109.269 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.67 156.23 80.57 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.324 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 100.08 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.518 1.799 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.33 158.83 3.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.1 m -136.79 142.49 42.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.028 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.886 HG22 ' OG ' ' A' ' 22' ' ' SER . 52.9 t -127.48 125.55 65.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.413 ' O ' ' N ' ' A' ' 16' ' ' GLY . 59.7 t80 -73.73 95.25 2.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 110.936 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.612 ' CG ' ' CE1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -65.43 79.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.616 ' N ' ' CD2' ' A' ' 20' ' ' HIS . . . -61.56 161.44 26.92 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.486 1.116 . . . . 0.0 110.965 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -18.2 18.88 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.515 1.797 . . . . 0.0 111.024 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.488 ' O ' HG23 ' A' ' 47' ' ' THR . 3.1 mt -128.37 -69.05 0.74 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.492 HD22 ' HA ' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -107.51 125.36 51.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.132 . . . . 0.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.616 ' CD2' ' N ' ' A' ' 16' ' ' GLY . 13.4 m170 -85.8 123.89 31.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.607 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.51 ' O ' HG13 ' A' ' 13' ' ' VAL . 28.6 mt -95.86 160.5 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.886 ' OG ' HG22 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -157.67 128.81 3.72 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.015 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.431 ' C ' ' HA ' ' A' ' 22' ' ' SER . 18.2 Cg_endo -75.0 -164.04 3.42 Favored 'Cis proline' 0 C--N 1.36 1.176 0 C-N-CA 120.965 -2.515 . . . . 0.0 111.049 -0.049 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.38 -91.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.548 ' HA ' HD23 ' A' ' 131' ' ' LEU . 27.1 mt-10 -132.71 62.85 1.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.345 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.412 ' O ' ' HG2' ' A' ' 23' ' ' PRO . 0.0 OUTLIER -162.07 102.85 1.13 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 110.316 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 1.026 ' HG ' HG21 ' A' ' 39' ' ' THR . 1.6 tp -99.43 119.62 38.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.572 ' CE1' ' HB3' ' A' ' 134' ' ' HIS . 1.7 m-85 -109.04 98.79 8.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.59 ' CZ ' HD23 ' A' ' 27' ' ' LEU . 88.7 m-85 -84.93 91.71 8.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.978 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 177.21 111.8 0.3 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 70.0 m -108.39 158.26 17.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 0.728 . . . . 0.0 109.999 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.4 tt -64.27 -27.01 41.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -69.91 155.99 39.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.103 . . . . 0.0 110.289 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.68 26.6 3.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.023 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -85.37 -87.93 0.93 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -147.16 144.64 29.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 0.794 . . . . 0.0 110.281 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -81.16 87.98 6.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.166 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.423 ' C ' ' CD ' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -123.98 151.14 44.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . 1.026 HG21 ' HG ' ' A' ' 27' ' ' LEU . 2.3 t -116.43 159.95 21.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.408 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.752 HD11 ' HB2' ' A' ' 79' ' ' ASP . 2.2 tp -133.07 118.1 18.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.74 HG23 ' O ' ' A' ' 22' ' ' SER . 33.7 mt -89.7 144.01 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 t -113.66 139.99 36.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.861 ' HB2' HG22 ' A' ' 78' ' ' ILE . 41.3 mt -124.91 105.11 8.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.367 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.0 m -90.39 98.81 11.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.442 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.492 ' HA ' HD22 ' A' ' 19' ' ' LEU . 25.3 t-20 -45.66 101.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.909 ' O ' HG12 ' A' ' 46' ' ' VAL . 1.6 t -103.49 67.23 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.088 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.518 ' CG2' ' O ' ' A' ' 46' ' ' VAL . 25.4 p -157.77 174.75 14.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.385 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.402 ' O ' ' CG ' ' A' ' 49' ' ' ASN . 0.0 OUTLIER -104.97 20.7 18.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.243 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.472 ' O ' HG23 ' A' ' 51' ' ' VAL . 7.3 m120 -163.45 155.42 17.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.429 1.081 . . . . 0.0 109.341 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.405 HG22 ' SD ' ' A' ' 103' ' ' MET . 17.9 mt -43.09 147.42 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.496 ' CG2' ' OG1' ' A' ' 47' ' ' THR . 71.2 t -134.27 120.6 34.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.42 ' HA ' ' CB ' ' A' ' 71' ' ' SER . . . -88.29 123.05 32.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.531 ' CE1' HD13 ' A' ' 78' ' ' ILE . 47.1 p90 -117.01 164.4 14.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 111.027 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.643 ' HB2' ' HE2' ' A' ' 99' ' ' MET . 22.7 mttt -151.98 147.04 26.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 1.13 HG21 HG21 ' A' ' 80' ' ' ILE . 88.4 t -114.4 122.11 67.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.471 ' HB2' HD12 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -123.03 173.8 7.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -172.36 161.5 5.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.398 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 25.5 p -77.92 1.63 19.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.389 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.837 ' HB1' ' HD3' ' A' ' 62' ' ' LYS . . . -154.47 74.75 5.9 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.25 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -4.0 14.75 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.491 1.785 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -105.4 19.62 20.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 110.266 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.837 ' HD3' ' HB1' ' A' ' 59' ' ' ALA . 1.8 mtpm? -131.92 -45.11 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.596 ' CE2' ' OD2' ' A' ' 94' ' ' ASP . 68.9 m-85 -101.41 125.2 48.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -87.78 96.47 10.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.108 . . . . 0.0 110.317 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.486 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 0.7 OUTLIER -96.78 116.64 39.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.415 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.0 OUTLIER -148.27 125.41 5.59 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.752 ' O ' HG23 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -75.0 159.22 98.34 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 121.027 -2.489 . . . . 0.0 110.994 0.035 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.462 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 73.8 p -113.96 -30.75 6.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.002 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 -133.42 100.69 4.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -162.94 -178.23 5.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.972 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.42 ' CB ' ' HA ' ' A' ' 52' ' ' ALA . 66.6 p -137.09 152.94 50.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.989 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.444 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 41.0 t -118.77 143.16 47.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 108.32 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.466 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 0.7 OUTLIER -77.08 168.95 23.8 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.467 ' HA ' ' OD1' ' A' ' 45' ' ' ASN . 18.2 Cg_endo -74.97 124.75 8.87 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.56 1.821 . . . . 0.0 110.983 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 85.1 38.16 9.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.463 1.102 . . . . 0.0 110.988 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -143.57 169.55 17.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 0.777 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.415 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 2.1 p -135.03 134.65 40.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.988 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.861 HG22 ' HB2' ' A' ' 43' ' ' LEU . 0.7 OUTLIER -105.62 171.39 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.752 ' HB2' HD11 ' A' ' 40' ' ' LEU . 3.3 p-10 -132.13 121.96 24.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 1.13 HG21 HG21 ' A' ' 55' ' ' VAL . 4.7 mm -115.3 96.66 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.41 ' N ' HD13 ' A' ' 40' ' ' LEU . 3.6 mp -73.84 122.44 26.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.486 ' HB ' HG22 ' A' ' 39' ' ' THR . 60.8 t -113.21 99.8 9.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.416 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 3.1 p -117.63 133.38 23.3 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.999 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 83' ' ' SER . 18.3 Cg_endo -74.97 176.35 10.02 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.481 1.78 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -55.67 166.31 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.616 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -97.0 40.7 2.49 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -160.46 -43.16 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.3 pp -90.57 -171.91 3.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 0.752 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.404 ' OG1' ' N ' ' A' ' 90' ' ' VAL . 0.7 OUTLIER -134.99 170.64 15.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.393 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.42 HG11 ' CG ' ' A' ' 29' ' ' PHE . 2.3 p -91.17 132.32 35.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.3 t -128.65 175.47 8.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.005 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -90.73 39.18 0.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -112.68 -26.9 8.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.596 ' OD2' ' CE2' ' A' ' 63' ' ' TYR . 0.5 OUTLIER -97.32 172.49 7.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.355 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.43 ' HG3' ' N ' ' A' ' 96' ' ' PHE . 4.7 tpp180 -149.77 143.45 25.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.476 ' CZ ' ' CG1' ' A' ' 82' ' ' VAL . 28.8 m-85 -105.5 154.48 20.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.964 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.719 HD13 ' N ' ' A' ' 98' ' ' ILE . 2.0 tm? -137.68 139.97 40.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.719 ' N ' HD13 ' A' ' 97' ' ' LEU . 2.7 mt -127.97 132.52 68.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.643 ' HE2' ' HB2' ' A' ' 54' ' ' LYS . 13.2 mtp -110.5 155.74 21.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.452 ' HB1' ' HB2' ' A' ' 19' ' ' LEU . . . -162.62 117.34 1.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.84 ' HB2' HG23 ' A' ' 126' ' ' VAL . . . -129.73 133.64 47.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.34 129.0 38.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.532 ' CG ' ' CZ ' ' A' ' 117' ' ' PHE . 10.0 mtp -97.04 171.77 8.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -74.97 -170.87 1.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -49.06 -95.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.285 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.02 107.34 19.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.008 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 16.5 m -127.97 125.87 40.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.408 1.067 . . . . 0.0 110.031 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -60.88 130.0 47.29 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.504 1.127 . . . . 0.0 111.024 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 61.6 p -98.47 55.84 1.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 0.75 . . . . 0.0 110.43 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -110.25 -175.49 20.74 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.536 1.148 . . . . 0.0 111.01 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -15.79 20.51 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.515 1.797 . . . . 0.0 110.981 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -92.11 -70.49 0.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 112' ' ' ALA . 2.7 mm-40 -37.0 -46.89 0.68 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 95.9 mt -61.82 -66.01 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.9 t -38.1 -39.0 0.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.045 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -74.65 -53.17 9.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.302 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.811 ' O ' HG12 ' A' ' 121' ' ' VAL . 91.9 t80 -58.67 -27.35 64.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' TRP . . . . . 0.906 ' CZ3' HG21 ' A' ' 126' ' ' VAL . 58.2 m95 -82.85 -14.4 54.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 107.992 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.422 ' C ' ' HD3' ' A' ' 119' ' ' LYS . 0.0 OUTLIER -94.69 -20.35 19.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -96.51 -43.78 7.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.811 HG12 ' O ' ' A' ' 117' ' ' PHE . 9.2 p -70.14 120.18 76.5 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.128 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.662 ' O ' HG12 ' A' ' 126' ' ' VAL . 18.2 Cg_endo -75.05 178.9 6.66 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.487 1.783 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.562 ' HA ' HG12 ' A' ' 126' ' ' VAL . 0.0 OUTLIER -84.98 0.92 49.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 110.327 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -101.2 -14.96 17.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.511 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 25.4 mmtt -102.62 -27.69 12.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.906 HG21 ' CZ3' ' A' ' 118' ' ' TRP . 14.2 p -94.21 137.53 22.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 109.342 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' MET . . . . . 0.462 ' SD ' ' N ' ' A' ' 128' ' ' GLU . 18.5 tmm? -80.69 151.57 28.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.462 ' N ' ' SD ' ' A' ' 127' ' ' MET . 58.4 mt-10 -138.13 128.37 25.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' HIS . . . . . 0.503 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 73.3 t60 -136.21 125.75 25.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.61 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.429 ' HA ' ' O ' ' A' ' 96' ' ' PHE . 0.9 OUTLIER -97.41 123.39 41.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.277 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.716 HD22 HD13 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -95.35 150.3 20.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.497 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -124.9 146.67 49.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.333 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 20.0 p -86.49 143.33 27.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 108.322 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.572 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -109.03 62.79 0.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.569 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.422 HG23 ' H ' ' A' ' 135' ' ' THR . 62.6 p -38.63 152.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.366 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 28.5 m -57.26 176.36 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.11 170.07 8.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 9.7 t -45.0 -62.18 1.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.006 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.76 123.6 7.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.968 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -109.73 154.33 42.54 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 172.21 16.8 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.519 1.799 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -159.6 115.96 2.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 30.6 t -156.93 107.23 2.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.992 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.65 172.6 6.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 2.3 ttp -157.09 152.76 26.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.978 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.444 HD23 ' H ' ' A' ' 147' ' ' SER . 0.5 OUTLIER -90.83 142.56 27.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 147' ' ' SER . . . . . 0.444 ' H ' HD23 ' A' ' 146' ' ' LEU . 14.3 p -139.3 149.22 43.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.424 1.077 . . . . 0.0 109.972 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -75.79 -172.92 33.64 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.463 1.102 . . . . 0.0 111.023 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 166.81 28.35 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.454 1.765 . . . . 0.0 110.974 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.96 144.49 50.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.005 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.58 96.82 4.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.035 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 0.0 111.03 -179.983 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.0 p -159.88 116.3 2.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 0.744 . . . . 0.0 109.984 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 t -47.07 -61.96 1.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.992 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.23 86.83 0.06 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.6 m -155.73 118.46 4.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 0.753 . . . . 0.0 109.959 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.4 m -111.01 81.91 1.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.996 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.22 168.87 0.26 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.528 1.142 . . . . 0.0 111.062 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -143.95 42.78 1.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 0.736 . . . . 0.0 109.332 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.87 162.02 58.26 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 168.47 24.76 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.489 1.783 . . . . 0.0 111.011 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.33 174.94 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.9 p -114.12 152.59 30.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.982 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.762 HG22 ' OG ' ' A' ' 22' ' ' SER . 67.2 t -140.04 123.24 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.679 ' CD2' ' ND1' ' A' ' 129' ' ' HIS . 18.5 t80 -73.51 95.13 2.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.683 ' HD3' ' CD2' ' A' ' 20' ' ' HIS . 18.0 mmtp -60.35 99.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -85.76 157.63 31.32 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.536 1.147 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.41 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.4 Cg_endo -74.94 -17.2 19.9 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.503 1.791 . . . . 0.0 111.02 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.612 ' O ' HG22 ' A' ' 46' ' ' VAL . 1.2 mt -123.95 -75.91 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.922 ' CB ' HG11 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -108.99 126.47 53.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.232 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.82 ' N ' HD22 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -78.6 119.0 21.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.603 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.691 HD13 ' CG2' ' A' ' 98' ' ' ILE . 40.5 mt -96.02 150.76 4.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.808 ' O ' HG23 ' A' ' 41' ' ' ILE . 2.5 m -147.97 141.71 15.84 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.982 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 22' ' ' SER . 18.4 Cg_endo -74.97 -161.96 2.64 Favored 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 121.042 -2.483 . . . . 0.0 111.002 0.033 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.448 ' O ' ' NE2' ' A' ' 129' ' ' HIS . . . -81.06 -89.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -129.21 55.63 1.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.291 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.429 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 8.6 pt-20 -163.44 104.38 0.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.268 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.681 ' HG ' HD12 ' A' ' 131' ' ' LEU . 7.8 mt -103.21 128.48 50.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -125.31 112.72 16.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 110.982 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -90.49 89.24 7.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 111.033 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 172.78 125.91 0.87 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.0 t -117.82 163.58 16.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 0.743 . . . . 0.0 109.991 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.1 mp -99.16 146.24 8.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 69.75 -63.47 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.76 -27.34 64.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.009 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.46 -148.81 51.02 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.467 1.104 . . . . 0.0 110.966 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 70.71 130.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 0.794 . . . . 0.0 110.286 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.7 mttp -92.14 70.02 5.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.443 ' CD ' HG23 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -130.57 145.71 51.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.634 ' OG1' HD22 ' A' ' 27' ' ' LEU . 10.2 t -104.91 158.17 16.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.357 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.505 ' CD1' ' C ' ' A' ' 80' ' ' ILE . 0.5 OUTLIER -132.48 118.31 19.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.348 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.985 HD13 HD11 ' A' ' 98' ' ' ILE . 16.6 mt -90.7 137.38 21.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.1 t -114.48 127.6 71.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.866 ' HB2' HG22 ' A' ' 78' ' ' ILE . 32.5 mt -110.97 104.51 13.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.427 ' N ' ' O ' ' A' ' 20' ' ' HIS . 1.0 OUTLIER -93.42 105.73 17.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 110.402 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.423 ' CG ' ' HA ' ' A' ' 74' ' ' PRO . 54.3 t-20 -76.33 105.23 7.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.612 HG22 ' O ' ' A' ' 18' ' ' LEU . 14.1 m -86.78 -39.77 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.607 HG23 ' HA ' ' A' ' 18' ' ' LEU . 1.5 p -50.51 162.82 0.21 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.402 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -89.69 24.64 2.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.42 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 36.2 m-80 -150.14 168.21 24.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.45 ' CG2' ' HB2' ' A' ' 71' ' ' SER . 52.3 mt -65.76 159.47 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.922 HG11 ' CB ' ' A' ' 19' ' ' LEU . 95.6 t -135.57 105.34 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.545 ' HB3' ' CE2' ' A' ' 117' ' ' PHE . . . -67.08 102.86 1.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.882 ' CE2' HD13 ' A' ' 78' ' ' ILE . 37.8 p90 -96.62 159.84 14.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.57 ' HE3' ' CD1' ' A' ' 118' ' ' TRP . 13.2 mttt -158.7 131.94 7.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.955 HG21 HG21 ' A' ' 80' ' ' ILE . 36.9 t -100.67 121.62 51.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.602 ' HB3' HD12 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -126.34 144.01 50.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.75 158.24 44.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.385 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 45.4 p -73.95 -8.04 54.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 110.352 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.553 ' HB1' ' HD3' ' A' ' 62' ' ' LYS . . . -152.34 74.14 7.46 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 0.31 9.04 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.544 1.813 . . . . 0.0 111.041 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -94.2 48.75 1.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.316 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.553 ' HD3' ' HB1' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -173.51 -38.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 0.0 109.315 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.527 ' CZ ' ' HE3' ' A' ' 62' ' ' LYS . 52.2 m-85 -100.79 115.0 29.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -84.29 94.25 8.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 110.305 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.917 HG13 HG22 ' A' ' 82' ' ' VAL . 2.1 t -91.35 132.09 36.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.511 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.3 OUTLIER -163.44 132.99 3.09 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.778 ' HD2' HD13 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -75.03 142.89 76.07 Favored 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 120.991 -2.504 . . . . 0.0 111.018 0.064 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.6 p -112.73 28.26 8.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.975 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.404 ' O ' ' HB2' ' A' ' 70' ' ' SER . 6.5 p30 -179.82 106.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.604 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 31.2 t 175.44 -170.24 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.009 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.611 ' CB ' HG22 ' A' ' 109' ' ' THR . 0.5 OUTLIER -138.76 135.44 34.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.986 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 49.2 t -91.05 128.69 36.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 108.309 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -69.46 160.41 79.43 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.423 ' HA ' ' CG ' ' A' ' 45' ' ' ASN . 18.2 Cg_endo -74.98 143.27 28.93 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.475 1.776 . . . . 0.0 110.956 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.99 25.36 75.69 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -142.23 178.99 7.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 109.264 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.422 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 3.4 p -140.63 140.42 35.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.978 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.882 HD13 ' CE2' ' A' ' 53' ' ' PHE . 1.0 OUTLIER -104.57 172.06 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -132.06 123.96 28.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.955 HG21 HG21 ' A' ' 55' ' ' VAL . 2.0 mm -121.38 109.83 26.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.466 HD12 ' CD1' ' A' ' 40' ' ' LEU . 2.0 mp -83.55 146.82 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.917 HG22 HG13 ' A' ' 65' ' ' VAL . 36.2 t -139.91 97.73 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.43 128.11 26.23 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.992 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.522 ' HG3' HG12 ' A' ' 90' ' ' VAL . 18.4 Cg_endo -74.96 168.32 25.11 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.527 1.804 . . . . 0.0 111.036 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.788 ' HB2' HD21 ' A' ' 88' ' ' LEU . 0.7 OUTLIER -55.96 145.84 24.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.615 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -65.19 102.19 0.63 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 133.05 -74.97 0.43 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.788 HD21 ' HB2' ' A' ' 85' ' ' HIS . 2.4 pp -48.52 174.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 0.785 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 37.8 p -106.79 -169.12 1.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 110.381 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.522 HG12 ' HG3' ' A' ' 84' ' ' PRO . 1.2 m -97.13 6.19 8.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.4 m 44.91 -164.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.019 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -128.04 -45.02 1.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -66.55 -14.3 62.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.425 ' OD1' ' CE2' ' A' ' 63' ' ' TYR . 0.9 OUTLIER -64.48 102.13 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.4 tpp85 -99.29 143.19 29.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.579 ' CZ ' HG11 ' A' ' 82' ' ' VAL . 22.1 m-85 -111.04 152.66 26.62 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.906 HD22 ' O ' ' A' ' 129' ' ' HIS . 2.1 tm? -135.4 144.05 46.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.985 HD11 HD13 ' A' ' 41' ' ' ILE . 5.6 mt -136.89 123.5 29.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.127 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.61 ' HE2' ' CZ3' ' A' ' 118' ' ' TRP . 3.4 mtp -97.06 157.67 15.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.624 ' HB3' ' CE ' ' A' ' 127' ' ' MET . . . -162.32 118.14 1.94 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.676 ' HB1' HG21 ' A' ' 121' ' ' VAL . . . -129.65 135.99 49.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.93 115.46 8.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.588 ' HG2' ' CZ ' ' A' ' 117' ' ' PHE . 0.0 OUTLIER -91.07 172.39 8.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.994 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.36 -145.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.333 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -107.2 -36.77 6.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.47 108.67 21.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.016 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.402 ' HA ' ' OE1' ' A' ' 113' ' ' GLU . 55.5 m -152.17 152.7 32.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.984 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -108.74 -3.98 32.07 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.131 . . . . 0.0 110.967 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.79 ' HA ' HD21 ' A' ' 114' ' ' LEU . 64.5 p 45.7 34.63 1.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 0.756 . . . . 0.0 110.366 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.983 ' O ' HD23 ' A' ' 114' ' ' LEU . . . -84.47 -169.14 45.25 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -25.33 12.04 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.52 1.8 . . . . 0.0 111.011 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.482 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -92.21 -63.05 1.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.482 ' C ' ' O ' ' A' ' 112' ' ' ALA . 3.3 mm-40 -32.33 -40.87 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.308 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.983 HD23 ' O ' ' A' ' 110' ' ' GLY . 3.6 mm? -71.38 -69.76 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.343 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 114' ' ' LEU . 0.2 OUTLIER -35.73 -33.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.018 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 114' ' ' LEU . 5.3 mm-40 -74.85 -58.55 3.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.891 ' O ' HG12 ' A' ' 121' ' ' VAL . 53.1 t80 -55.44 -32.4 62.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 111.029 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' TRP . . . . . 0.948 ' CZ3' HG21 ' A' ' 126' ' ' VAL . 79.2 m95 -74.79 -16.31 60.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 107.993 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.65 -22.41 21.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.464 ' CG ' ' N ' ' A' ' 121' ' ' VAL . 0.5 OUTLIER -98.34 -45.07 6.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 110.297 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.891 HG12 ' O ' ' A' ' 117' ' ' PHE . 9.6 p -72.26 120.53 80.91 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.43 1.081 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.653 ' O ' HG12 ' A' ' 126' ' ' VAL . 18.2 Cg_endo -75.05 168.54 24.58 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.431 1.753 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.532 ' C ' ' CD ' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -78.36 1.71 21.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 110.296 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.483 ' N ' ' HD2' ' A' ' 123' ' ' ARG . 1.1 t-20 -102.48 -10.15 19.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.528 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 32.8 mmtt -106.65 -26.78 11.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.948 HG21 ' CZ3' ' A' ' 118' ' ' TRP . 7.4 p -92.22 136.69 23.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' MET . . . . . 0.624 ' CE ' ' HB3' ' A' ' 100' ' ' ALA . 35.8 ttp -79.98 143.16 34.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 111.043 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -123.6 116.72 23.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' HIS . . . . . 0.906 ' O ' HD22 ' A' ' 97' ' ' LEU . 79.2 t60 -115.32 140.11 49.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 109.596 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.682 ' HD2' HD23 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -116.84 122.28 43.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 110.265 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.681 HD12 ' HG ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -93.37 146.52 23.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 5.7 ptp180 -128.45 137.96 52.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 20.1 p -73.65 155.03 39.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 108.274 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -108.23 77.65 1.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.568 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.899 HG23 HG23 ' A' ' 136' ' ' VAL . 13.0 t -144.12 -167.48 2.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.366 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.899 HG23 HG23 ' A' ' 135' ' ' THR . 94.6 t 65.01 126.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -176.82 117.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.54 174.91 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.979 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.32 82.83 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.994 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' LYS . . . . . 0.668 ' HE2' HD22 ' A' ' 146' ' ' LEU . 0.0 OUTLIER -104.29 165.37 13.48 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 141' ' ' PRO . . . . . 0.46 ' HD2' ' CG ' ' A' ' 140' ' ' LYS . 18.1 Cg_endo -74.99 -60.41 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.516 1.798 . . . . 0.0 111.027 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -177.58 121.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.559 ' O ' HD12 ' A' ' 144' ' ' LEU . 0.3 OUTLIER 40.55 88.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.97 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.559 HD12 ' O ' ' A' ' 143' ' ' SER . 0.4 OUTLIER -151.52 135.3 16.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.355 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.04 171.11 15.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 111.035 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.668 HD22 ' HE2' ' A' ' 140' ' ' LYS . 3.9 tp 179.16 146.59 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.67 -57.84 9.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.032 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 84.14 157.53 26.05 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 139.55 24.36 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.483 1.78 . . . . 0.0 110.957 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -122.6 100.06 6.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 110.038 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.1 128.71 37.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.981 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.466 1.104 . . . . 0.0 111.001 -179.993 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.4 92.92 5.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 0.786 . . . . 0.0 110.017 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -73.91 169.26 17.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.983 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.17 62.58 0.67 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.513 1.133 . . . . 0.0 111.025 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.7 131.79 7.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 0.755 . . . . 0.0 110.059 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.7 p -45.95 152.24 0.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.026 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.61 -151.22 51.45 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.512 1.132 . . . . 0.0 110.975 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -102.14 100.35 10.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 0.771 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.49 164.26 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 153.46 42.02 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.456 1.767 . . . . 0.0 110.96 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.22 92.69 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.338 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 m -91.62 129.88 37.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.04 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.609 HG22 ' HE3' ' A' ' 15' ' ' LYS . 0.8 OUTLIER -122.87 141.36 43.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -80.26 95.79 6.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.609 ' HE3' HG22 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -53.04 98.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.65 157.36 28.68 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.545 1.153 . . . . 0.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.416 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.6 Cg_endo -74.95 -18.89 18.48 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.496 1.787 . . . . 0.0 111.031 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.538 ' HA ' HG23 ' A' ' 47' ' ' THR . 3.9 mt -123.52 -76.41 0.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.691 ' HB2' HG11 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -108.65 132.7 53.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.363 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.767 ' CE1' HG11 ' A' ' 46' ' ' VAL . 0.3 OUTLIER -78.42 157.65 28.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.64 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.979 HG21 ' CD2' ' A' ' 129' ' ' HIS . 3.6 mm -125.79 146.12 32.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.42 ' HA ' ' C ' ' A' ' 23' ' ' PRO . 1.5 t -158.08 127.37 3.15 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.938 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.42 ' C ' ' HA ' ' A' ' 22' ' ' SER . 18.2 Cg_endo -75.04 -172.8 11.28 Favored 'Cis proline' 0 C--N 1.361 1.194 0 C-N-CA 121.008 -2.497 . . . . 0.0 110.981 0.001 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.41 -96.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.522 ' O ' ' CG ' ' A' ' 132' ' ' ARG . 0.7 OUTLIER -122.38 54.19 1.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.291 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.444 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 0.9 OUTLIER -163.82 103.28 0.9 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.322 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.705 HD22 ' OG1' ' A' ' 39' ' ' THR . 10.7 mt -97.63 137.45 36.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 0.0 109.256 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -130.0 91.95 3.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.645 ' CG ' HG11 ' A' ' 90' ' ' VAL . 25.1 m-85 -70.82 91.16 0.82 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.122 . . . . 0.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 178.78 124.8 0.89 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.513 1.133 . . . . 0.0 110.967 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.97 163.59 12.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 0.774 . . . . 0.0 110.011 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mt -45.38 -63.02 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -53.65 165.83 0.38 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.329 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.2 m -95.43 30.67 2.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 110.006 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -97.59 -143.24 14.51 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.509 1.13 . . . . 0.0 110.979 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -47.26 162.43 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 0.779 . . . . 0.0 110.301 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -134.73 68.24 1.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.45 ' HD2' ' CG2' ' A' ' 81' ' ' ILE . 30.6 pttt -108.1 148.16 30.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.705 ' OG1' HD22 ' A' ' 27' ' ' LEU . 8.9 t -96.55 145.24 25.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.411 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.577 HD12 ' N ' ' A' ' 41' ' ' ILE . 0.7 OUTLIER -118.98 120.2 36.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.242 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.889 HD13 HD11 ' A' ' 98' ' ' ILE . 15.3 mt -91.16 127.51 43.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.45 HG13 ' OD1' ' A' ' 79' ' ' ASP . 2.0 t -106.54 141.8 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.73 HD12 ' CG2' ' A' ' 78' ' ' ILE . 2.4 mt -133.66 110.88 10.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.9 m -97.81 106.79 19.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.452 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.428 ' OD1' ' OG1' ' A' ' 47' ' ' THR . 52.5 t30 -72.73 100.66 2.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.767 HG11 ' CE1' ' A' ' 20' ' ' HIS . 12.4 m -75.28 -38.89 41.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.564 1.165 . . . . 0.0 109.344 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.538 HG23 ' HA ' ' A' ' 18' ' ' LEU . 2.6 p -53.89 153.18 4.93 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.49 1.119 . . . . 0.0 110.406 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.85 22.84 3.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.445 ' HB2' ' CD ' ' A' ' 102' ' ' GLU . 76.3 m-20 -137.18 159.55 41.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 27.4 mt -59.96 145.43 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.691 HG11 ' HB2' ' A' ' 19' ' ' LEU . 75.9 t -136.79 118.6 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.446 ' HB3' ' HE2' ' A' ' 117' ' ' PHE . . . -88.47 120.6 30.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.805 ' HE2' HD13 ' A' ' 78' ' ' ILE . 20.9 p90 -115.3 156.85 24.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.15 . . . . 0.0 111.036 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.581 ' HG3' ' CZ2' ' A' ' 118' ' ' TRP . 8.2 mttm -144.57 119.53 9.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.256 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.463 HG12 HG11 ' A' ' 65' ' ' VAL . 21.5 t -97.8 119.63 46.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.408 ' HD3' HD12 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -127.38 172.08 10.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.577 HG23 ' H ' ' A' ' 59' ' ' ALA . 6.5 t -153.71 170.73 20.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 110.42 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.0 p -87.25 18.73 3.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.402 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.839 ' HB1' ' HD3' ' A' ' 62' ' ' LYS . . . -170.88 72.98 0.55 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -12.94 21.47 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.478 1.778 . . . . 0.0 111.007 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -91.72 18.81 7.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.282 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.839 ' HD3' ' HB1' ' A' ' 59' ' ' ALA . 1.0 OUTLIER -137.12 -47.75 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.103 . . . . 0.0 109.341 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -102.35 119.67 39.21 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.84 103.17 8.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 110.255 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.593 HG13 HG22 ' A' ' 82' ' ' VAL . 2.9 t -100.2 124.44 53.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.52 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -163.67 133.9 3.28 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 109.308 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.52 ' C ' ' HA ' ' A' ' 66' ' ' LYS . 18.3 Cg_endo -74.99 133.76 32.89 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 120.967 -2.514 . . . . 0.0 111.016 -0.002 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.423 ' N ' ' HA ' ' A' ' 66' ' ' LYS . 82.9 p -112.57 43.85 1.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.962 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.4 p30 164.89 69.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.409 ' O ' ' O ' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -151.48 -165.0 2.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.988 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.632 ' OG ' HD21 ' A' ' 114' ' ' LEU . 5.5 m -138.82 172.34 13.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.031 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.545 ' HB3' HD21 ' A' ' 19' ' ' LEU . 35.0 t -133.17 116.21 15.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 108.277 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -55.47 162.7 2.19 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 109.285 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 136.52 20.52 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.494 1.786 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.43 16.56 73.43 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -131.15 -178.95 5.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 109.335 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 2.7 p -145.28 136.89 25.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 110.032 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.805 HD13 ' HE2' ' A' ' 53' ' ' PHE . 1.5 tt -106.19 159.87 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.768 ' C ' HD12 ' A' ' 80' ' ' ILE . 32.7 m-20 -131.73 118.2 19.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.263 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.768 HD12 ' C ' ' A' ' 79' ' ' ASP . 1.2 mp -105.4 118.9 53.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.257 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.45 ' CG2' ' HD2' ' A' ' 38' ' ' LYS . 2.0 mp -82.37 145.97 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.621 HG11 ' CZ ' ' A' ' 96' ' ' PHE . 47.0 t -140.53 98.27 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.16 134.91 24.1 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.004 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 167.01 27.97 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.51 1.795 . . . . 0.0 111.008 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.56 ' CD2' ' HA ' ' A' ' 62' ' ' LYS . 1.2 m-70 -52.29 166.38 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.657 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -86.67 67.73 3.39 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.491 1.119 . . . . 0.0 110.925 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 176.26 -58.74 0.11 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.401 HD21 ' HB2' ' A' ' 85' ' ' HIS . 2.9 pp -73.81 -169.23 0.69 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 0.76 . . . . 0.0 109.354 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.42 ' OG1' ' N ' ' A' ' 90' ' ' VAL . 0.0 OUTLIER -144.14 169.42 17.89 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 110.397 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.645 HG11 ' CG ' ' A' ' 29' ' ' PHE . 7.5 p -87.17 128.71 39.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.1 m -127.71 -176.91 3.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.041 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -95.21 37.18 1.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -110.67 -33.06 6.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.335 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.03 154.21 18.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.291 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.449 ' HG3' ' N ' ' A' ' 96' ' ' PHE . 0.0 OUTLIER -127.37 142.21 51.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.315 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.621 ' CZ ' HG11 ' A' ' 82' ' ' VAL . 55.5 m-85 -105.48 153.98 20.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.805 HD23 ' HD2' ' A' ' 130' ' ' ARG . 2.4 tm? -134.39 145.56 49.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.889 HD11 HD13 ' A' ' 41' ' ' ILE . 3.6 mt -136.83 126.88 39.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.305 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.648 ' HE3' ' CH2' ' A' ' 118' ' ' TRP . 16.4 mtm -107.3 155.24 20.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.041 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -162.63 119.08 1.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.742 ' HB2' HG23 ' A' ' 126' ' ' VAL . . . -133.75 136.15 44.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.509 ' OE1' ' N ' ' A' ' 103' ' ' MET . 0.7 OUTLIER -70.83 124.22 23.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.289 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.569 ' HG2' ' CZ ' ' A' ' 117' ' ' PHE . 0.0 OUTLIER -94.71 171.96 8.47 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.134 . . . . 0.0 111.001 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -61.85 -157.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -74.85 -99.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 110.303 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.2 m -87.53 106.54 18.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.987 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.6 m -143.51 132.63 23.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.966 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -65.38 144.97 48.28 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 30.7 p -94.7 28.3 2.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 0.778 . . . . 0.0 110.415 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -71.87 -179.83 33.31 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.453 1.096 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -12.89 21.62 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.492 1.785 . . . . 0.0 111.04 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -91.72 -70.86 0.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.259 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 112' ' ' ALA . 2.9 mm-40 -38.43 -46.47 1.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.334 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.632 HD21 ' OG ' ' A' ' 71' ' ' SER . 82.4 mt -60.55 -62.99 1.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 109.293 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.467 ' O ' ' CG ' ' A' ' 119' ' ' LYS . 0.6 OUTLIER -44.75 -39.95 5.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 110.013 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.526 ' HA ' ' CG ' ' A' ' 119' ' ' LYS . 1.8 mt-30 -68.04 -35.6 78.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.72 ' O ' HG12 ' A' ' 121' ' ' VAL . 20.5 t80 -82.53 -23.93 34.32 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.115 . . . . 0.0 111.034 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' TRP . . . . . 0.885 ' HZ3' HG21 ' A' ' 126' ' ' VAL . 63.3 m95 -85.86 -29.01 24.05 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.526 ' CG ' ' HA ' ' A' ' 116' ' ' GLN . 0.0 OUTLIER -82.5 -16.88 47.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 0.0 109.309 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -100.28 -44.22 6.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.72 HG12 ' O ' ' A' ' 117' ' ' PHE . 7.1 p -69.6 120.04 74.81 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.554 ' O ' HG12 ' A' ' 126' ' ' VAL . 18.3 Cg_endo -74.98 167.22 27.53 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.548 ' HA ' HG12 ' A' ' 126' ' ' VAL . 0.0 OUTLIER -76.97 1.16 18.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.342 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -102.63 -10.03 19.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.527 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 33.3 mmtt -107.01 -29.68 9.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.885 HG21 ' HZ3' ' A' ' 118' ' ' TRP . 8.9 p -87.76 136.48 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' MET . . . . . 0.456 ' O ' ' HA ' ' A' ' 99' ' ' MET . 62.4 ttp -81.11 152.21 27.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.49 ' HB3' HD21 ' A' ' 97' ' ' LEU . 49.8 mt-10 -134.09 131.12 38.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' HIS . . . . . 0.979 ' CD2' HG21 ' A' ' 21' ' ' ILE . 58.1 t60 -132.54 117.13 17.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.613 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.805 ' HD2' HD23 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -96.41 124.2 40.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.567 HD12 ' HG ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -92.74 155.3 17.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.522 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -126.49 144.45 50.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 133' ' ' CYS . . . . . 0.632 ' SG ' HG22 ' A' ' 90' ' ' VAL . 13.2 t -90.2 129.03 36.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 108.269 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -96.97 125.59 41.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.589 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 46.5 p -114.56 132.06 56.46 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 110.421 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.48 ' O ' HG13 ' A' ' 136' ' ' VAL . 11.3 p -167.55 113.94 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.2 151.55 33.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.18 -173.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.978 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 5.7 t -110.64 -61.74 1.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.994 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 1.2 mtmp? -131.19 152.38 80.51 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.514 1.134 . . . . 0.0 109.254 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -39.89 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.511 1.795 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 61.26 97.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.21 163.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.01 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.54 153.24 33.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.72 158.11 43.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.816 HD12 ' N ' ' A' ' 147' ' ' SER . 4.6 pp -105.64 -55.03 2.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 147' ' ' SER . . . . . 0.816 ' N ' HD12 ' A' ' 146' ' ' LEU . 13.1 t 62.37 123.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.15 . . . . 0.0 110.019 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -45.79 105.12 0.08 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.537 1.148 . . . . 0.0 110.953 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 105.06 2.01 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.55 1.816 . . . . 0.0 111.045 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 1.4 t -71.58 155.35 40.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.023 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.93 -56.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 0.0 109.997 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.527 1.142 . . . . 0.0 110.973 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -160.4 118.42 2.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 0.766 . . . . 0.0 110.001 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.83 138.63 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.004 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.6 -92.98 0.11 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.449 1.093 . . . . 0.0 110.973 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -40.13 156.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 0.767 . . . . 0.0 110.004 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -149.74 115.48 5.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.983 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.63 110.31 2.63 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.456 1.098 . . . . 0.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.22 -174.02 4.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 0.769 . . . . 0.0 109.35 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.08 157.88 35.83 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.541 ' HA ' ' CE1' ' A' ' 28' ' ' TYR . 18.4 Cg_endo -75.02 106.96 2.38 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.468 1.772 . . . . 0.0 111.031 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.5 HD13 ' H ' ' A' ' 12' ' ' SER . 0.2 OUTLIER -129.76 166.14 20.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.5 ' H ' HD13 ' A' ' 11' ' ' LEU . 40.9 m 67.02 140.71 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.975 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -133.31 145.76 33.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.501 ' CD1' ' CE1' ' A' ' 129' ' ' HIS . 75.4 t80 -73.47 98.02 2.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 111.051 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.596 ' HA ' ' CG ' ' A' ' 20' ' ' HIS . 0.1 OUTLIER -67.85 62.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 14' ' ' PHE . . . -43.83 162.61 0.05 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.538 1.149 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -18.58 18.64 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.471 1.774 . . . . 0.0 110.962 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.756 ' O ' HG22 ' A' ' 46' ' ' VAL . 0.3 OUTLIER -127.8 -63.43 1.02 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.987 HD11 HD22 ' A' ' 43' ' ' LEU . 0.9 OUTLIER -113.95 128.22 56.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.787 ' N ' HD22 ' A' ' 19' ' ' LEU . 1.2 m-70 -85.43 130.56 34.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.57 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.725 HD12 ' HB3' ' A' ' 129' ' ' HIS . 2.3 mt -102.48 147.57 8.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.137 . . . . 0.0 109.364 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.436 ' HA ' ' C ' ' A' ' 23' ' ' PRO . 0.9 OUTLIER -146.69 128.08 7.35 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.001 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.436 ' C ' ' HA ' ' A' ' 22' ' ' SER . 18.2 Cg_endo -74.99 -178.16 22.64 Favored 'Cis proline' 0 C--N 1.36 1.182 0 C-N-CA 120.963 -2.516 . . . . 0.0 110.977 -0.008 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.443 ' O ' ' NE2' ' A' ' 129' ' ' HIS . . . -64.21 -75.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.874 ' HA ' HD23 ' A' ' 131' ' ' LEU . 3.6 pt-20 -146.55 61.07 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.308 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.445 ' CG ' ' C ' ' A' ' 25' ' ' GLU . 8.1 mt-10 -154.2 102.43 2.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 1.092 HD22 HD22 ' A' ' 131' ' ' LEU . 0.2 OUTLIER -104.15 110.42 22.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.541 ' CE1' ' HA ' ' A' ' 10' ' ' PRO . 42.0 m-85 -96.49 93.42 6.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.565 ' CE2' ' HB3' ' A' ' 27' ' ' LEU . 88.1 m-85 -86.12 94.08 9.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 111.038 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 125.32 111.11 1.82 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.7 m -111.65 160.61 17.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 0.745 . . . . 0.0 110.017 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.405 ' O ' ' C ' ' A' ' 33' ' ' GLU . 1.0 OUTLIER -58.16 114.12 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 32' ' ' ILE . 5.1 pt-20 38.38 58.47 1.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.271 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.1 t -110.18 -23.45 11.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 110.001 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.9 -118.58 5.88 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.534 1.146 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -49.38 111.96 0.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.766 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.4 mttt -79.43 62.48 3.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.495 ' HD3' HG23 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -116.69 139.94 49.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 109.316 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.597 HG21 HD12 ' A' ' 27' ' ' LEU . 10.1 t -100.96 157.92 16.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.405 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.7 HD11 ' HB3' ' A' ' 79' ' ' ASP . 3.4 tp -132.08 119.62 21.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.264 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.584 ' N ' HD12 ' A' ' 40' ' ' LEU . 30.6 mt -89.24 161.84 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.449 ' N ' ' CG2' ' A' ' 41' ' ' ILE . 2.1 t -135.6 131.81 51.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.987 HD22 HD11 ' A' ' 19' ' ' LEU . 42.1 mt -112.76 107.08 15.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.3 m -92.32 110.94 22.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.457 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' A' ' 73' ' ' ASP . 33.1 t-20 -76.43 97.87 4.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.756 HG22 ' O ' ' A' ' 18' ' ' LEU . 33.8 m -80.5 -26.8 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.514 HG23 ' HA ' ' A' ' 18' ' ' LEU . 2.0 p -68.92 163.17 25.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.381 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.9 tptt -92.25 29.77 1.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 56.7 m-80 -155.23 157.32 37.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.736 HG22 ' OG ' ' A' ' 71' ' ' SER . 15.4 mt -58.47 146.36 8.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.352 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.936 HG11 ' HB2' ' A' ' 19' ' ' LEU . 73.0 t -120.96 106.11 17.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.787 ' HB3' ' HE2' ' A' ' 117' ' ' PHE . . . -72.57 104.74 3.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.539 ' CZ ' ' HB3' ' A' ' 70' ' ' SER . 43.0 p90 -104.54 162.72 13.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.983 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.56 ' HE3' ' CD1' ' A' ' 118' ' ' TRP . 13.5 mttm -150.86 133.29 15.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.973 HG21 HG21 ' A' ' 80' ' ' ILE . 65.2 t -96.53 123.12 48.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.98 131.72 39.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.255 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.435 HG23 ' H ' ' A' ' 59' ' ' ALA . 4.7 t -128.92 169.51 14.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.403 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 23.9 p -89.55 24.05 2.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.426 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.852 ' HB1' ' HD3' ' A' ' 62' ' ' LYS . . . -173.52 73.99 0.38 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -3.13 13.47 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.507 1.793 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -107.98 22.36 16.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.291 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.852 ' HD3' ' HB1' ' A' ' 59' ' ' ALA . 1.4 mtpm? -137.94 -46.48 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.62 ' CE2' ' CG ' ' A' ' 94' ' ' ASP . 27.2 m-85 -104.05 136.38 43.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -97.53 116.47 29.79 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.452 1.095 . . . . 0.0 110.261 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 0.7 OUTLIER -117.59 116.32 51.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.341 179.929 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.438 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.0 OUTLIER -150.27 126.55 5.16 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.709 ' O ' HG23 ' A' ' 80' ' ' ILE . 18.2 Cg_endo -75.02 157.12 99.8 Favored 'Cis proline' 0 C--N 1.359 1.113 0 C-N-CA 121.013 -2.495 . . . . 0.0 110.976 0.05 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.444 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 54.3 p -113.19 -24.27 9.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.946 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -135.7 97.15 3.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.539 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 5.7 t -162.4 -179.56 7.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.983 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.736 ' OG ' HG22 ' A' ' 50' ' ' ILE . 1.5 t -129.57 154.77 46.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.022 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 44.5 t -115.19 133.72 55.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 108.275 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.532 ' OD2' ' CB ' ' A' ' 76' ' ' ALA . 0.4 OUTLIER -72.27 162.81 71.83 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.427 ' HA ' ' CG ' ' A' ' 45' ' ' ASN . 18.4 Cg_endo -75.02 135.7 19.37 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.501 1.79 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.82 13.96 83.06 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.545 1.153 . . . . 0.0 110.968 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.532 ' CB ' ' OD2' ' A' ' 73' ' ' ASP . . . -123.85 -178.98 4.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 4.0 p -144.43 138.18 27.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.987 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.852 HG22 ' HB2' ' A' ' 43' ' ' LEU . 0.9 OUTLIER -104.44 170.22 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.7 ' HB3' HD11 ' A' ' 40' ' ' LEU . 7.0 m-20 -131.05 122.59 27.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.973 HG21 HG21 ' A' ' 55' ' ' VAL . 5.2 mm -116.71 97.32 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.248 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.495 HG23 ' HD3' ' A' ' 38' ' ' LYS . 3.1 mp -73.84 120.23 22.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.642 ' CG1' ' CZ ' ' A' ' 96' ' ' PHE . 61.8 t -111.62 97.33 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.585 1.178 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.29 126.79 28.2 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 110.014 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.418 ' HA ' ' HA ' ' A' ' 63' ' ' TYR . 18.3 Cg_endo -75.02 179.7 5.84 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.524 1.802 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.402 ' O ' ' O ' ' A' ' 84' ' ' PRO . 0.8 OUTLIER -57.59 -161.13 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.603 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -129.55 49.37 0.93 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.521 1.138 . . . . 0.0 110.968 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 178.46 -59.28 0.09 OUTLIER Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.2 pp -64.88 -172.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 0.765 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.449 ' OG1' ' N ' ' A' ' 90' ' ' VAL . 2.1 t -124.62 176.76 6.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 110.441 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.451 ' CG2' ' SG ' ' A' ' 133' ' ' CYS . 3.5 m -100.91 -2.12 9.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 90' ' ' VAL . 2.2 m 38.41 -149.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.981 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -135.43 24.35 3.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -111.26 -28.4 8.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.62 ' CG ' ' CE2' ' A' ' 63' ' ' TYR . 0.6 OUTLIER -68.26 147.11 52.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.6 tpp180 -135.06 142.28 46.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.079 . . . . 0.0 110.326 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.642 ' CZ ' ' CG1' ' A' ' 82' ' ' VAL . 20.3 m-85 -109.68 112.8 25.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.689 HD12 ' O ' ' A' ' 129' ' ' HIS . 18.7 tp -100.05 137.87 37.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.753 ' CD1' HD12 ' A' ' 131' ' ' LEU . 3.9 mt -132.39 118.52 35.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.694 ' HE3' ' CH2' ' A' ' 118' ' ' TRP . 30.7 mtm -89.86 161.05 16.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 0.0 111.03 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.584 ' HB3' ' CE ' ' A' ' 127' ' ' MET . . . -163.82 117.27 1.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.67 ' HB2' HG23 ' A' ' 126' ' ' VAL . . . -126.88 133.18 50.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.512 ' HG3' HG21 ' A' ' 47' ' ' THR . 0.9 OUTLIER -69.41 111.18 5.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 110.288 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.587 ' HG2' ' CZ ' ' A' ' 117' ' ' PHE . 0.0 OUTLIER -85.66 171.71 11.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 111.009 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -70.46 -142.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 110.353 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -75.59 -156.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 10.8 m -55.24 110.96 0.76 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.028 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.539 ' O ' HG23 ' A' ' 109' ' ' THR . 0.6 OUTLIER -111.81 157.97 19.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 110.011 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 109' ' ' THR . . . -58.48 -16.36 28.53 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.56 1.163 . . . . 0.0 111.031 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.539 HG23 ' O ' ' A' ' 107' ' ' SER . 40.4 p 36.98 50.99 0.94 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 0.777 . . . . 0.0 110.391 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.458 ' O ' HD12 ' A' ' 114' ' ' LEU . . . -115.48 -169.89 15.94 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.488 1.118 . . . . 0.0 111.021 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -16.37 20.05 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.529 1.805 . . . . 0.0 110.998 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -92.0 -72.88 0.57 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -38.64 -45.03 1.04 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.458 HD12 ' O ' ' A' ' 110' ' ' GLY . 95.1 mt -62.24 -65.02 0.75 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -38.03 -32.59 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 110.065 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.422 ' N ' ' C ' ' A' ' 114' ' ' LEU . 5.0 mm-40 -76.86 -56.79 4.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.866 ' O ' HG12 ' A' ' 121' ' ' VAL . 38.8 t80 -54.8 -35.3 63.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' TRP . . . . . 0.87 ' HZ3' HG21 ' A' ' 126' ' ' VAL . 70.5 m95 -72.98 -17.05 61.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 108.024 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.34 -23.09 19.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.421 ' CG ' ' N ' ' A' ' 121' ' ' VAL . 1.0 OUTLIER -95.6 -43.54 7.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 110.309 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.866 HG12 ' O ' ' A' ' 117' ' ' PHE . 9.1 p -71.17 118.57 67.03 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.59 ' O ' HG12 ' A' ' 126' ' ' VAL . 18.4 Cg_endo -74.94 168.87 23.87 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.493 1.786 . . . . 0.0 111.034 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.538 ' HA ' HG12 ' A' ' 126' ' ' VAL . 0.0 OUTLIER -76.8 1.51 17.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.288 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -102.13 -12.35 18.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.511 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 27.1 mmtt -104.67 -30.4 9.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.87 HG21 ' HZ3' ' A' ' 118' ' ' TRP . 8.0 p -87.16 132.62 32.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' MET . . . . . 0.584 ' CE ' ' HB3' ' A' ' 100' ' ' ALA . 17.4 tmm? -79.63 140.31 37.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.457 ' HB3' HD11 ' A' ' 97' ' ' LEU . 39.5 mt-10 -122.19 121.98 38.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' HIS . . . . . 0.725 ' HB3' HD12 ' A' ' 21' ' ' ILE . 43.4 t60 -121.43 133.48 55.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.636 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 2.6 mpp_? -108.77 133.94 52.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 1.092 HD22 HD22 ' A' ' 27' ' ' LEU . 0.7 OUTLIER -106.34 162.41 13.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.247 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.472 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 0.7 OUTLIER -130.46 152.57 49.7 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 110.261 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 133' ' ' CYS . . . . . 0.451 ' SG ' ' CG2' ' A' ' 90' ' ' VAL . 6.3 t -85.66 126.32 33.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.133 . . . . 0.0 108.295 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 -95.79 74.54 3.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.604 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 9.4 p -39.09 117.22 0.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.385 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 21.4 m -95.95 175.3 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 53.18 175.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.323 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -122.77 161.58 23.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.976 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 6.2 t -58.01 138.95 55.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.973 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.52 149.46 64.8 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -56.73 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.519 1.8 . . . . 0.0 111.045 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -170.78 154.68 4.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 2.3 t -121.4 163.37 18.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.979 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.98 163.53 22.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.58 136.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 1.1 mp -132.2 69.09 1.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 98.9 p -139.61 150.26 44.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 109.95 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -65.03 -167.15 1.5 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.493 1.121 . . . . 0.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -55.11 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.481 1.779 . . . . 0.0 111.043 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 75.55 -58.77 0.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.049 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.41 -58.47 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.001 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.522 1.139 . . . . 0.0 110.958 -179.976 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.0 t -147.47 110.89 4.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 0.735 . . . . 0.0 110.009 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.8 t -178.66 121.47 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.055 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.65 160.89 29.56 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.465 1.103 . . . . 0.0 110.945 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m -83.5 167.41 17.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 0.767 . . . . 0.0 110.033 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.2 p -126.9 169.17 13.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.027 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.63 143.27 5.82 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.466 1.104 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -137.2 149.52 47.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 0.78 . . . . 0.0 109.294 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt -69.62 161.42 74.37 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.269 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 158.93 41.92 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.499 1.789 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mp -93.09 -167.53 1.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.7 m -114.79 130.78 56.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 110.001 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 43.1 t -131.77 126.96 58.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -73.99 95.45 2.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.556 ' HD3' ' CD2' ' A' ' 20' ' ' HIS . 2.5 mmtp -66.71 82.91 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.462 ' O ' ' CE1' ' A' ' 20' ' ' HIS . . . -70.36 163.84 52.72 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.409 ' O ' HD23 ' A' ' 18' ' ' LEU . 18.4 Cg_endo -75.02 -17.22 19.67 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.53 1.805 . . . . 0.0 110.977 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.555 ' HA ' HG23 ' A' ' 47' ' ' THR . 2.6 mt -125.36 -76.47 0.59 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.58 ' HB2' HG11 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -111.94 123.87 51.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.256 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.635 ' CE1' HG11 ' A' ' 46' ' ' VAL . 1.8 m-70 -74.95 159.01 32.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.645 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.447 ' CD1' ' CG2' ' A' ' 98' ' ' ILE . 1.2 mm -120.38 131.46 72.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.487 ' HA ' ' HA ' ' A' ' 23' ' ' PRO . 1.2 t -136.93 119.31 11.5 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.954 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.487 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 18.2 Cg_endo -75.0 -161.56 2.52 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 120.982 -2.508 . . . . 0.0 111.026 -0.058 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.75 -96.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.465 ' O ' ' CG ' ' A' ' 132' ' ' ARG . 4.4 mt-10 -124.16 62.64 1.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.406 ' O ' ' HG2' ' A' ' 23' ' ' PRO . 0.0 OUTLIER -162.44 102.72 1.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.297 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.635 ' CD2' HG21 ' A' ' 39' ' ' THR . 2.7 tp -100.11 124.45 45.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.152 . . . . 0.0 109.335 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -118.97 95.93 5.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.402 ' CG ' HG21 ' A' ' 90' ' ' VAL . 37.1 m-85 -80.84 101.55 9.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 111.034 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.46 89.01 1.69 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.521 1.138 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.0 m -107.72 122.78 47.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 0.764 . . . . 0.0 110.006 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt 69.0 -75.48 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -75.68 137.3 40.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 0.0 110.31 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.3 m -84.04 -10.84 57.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.991 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -76.13 133.73 14.64 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.483 1.114 . . . . 0.0 111.055 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 50.61 96.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 0.766 . . . . 0.0 110.31 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.3 mtpt -99.53 61.24 1.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.431 ' CB ' ' HB2' ' A' ' 83' ' ' SER . 0.0 OUTLIER -115.67 145.63 42.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.635 HG21 ' CD2' ' A' ' 27' ' ' LEU . 10.0 t -103.96 136.42 43.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 110.418 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.681 HD12 ' N ' ' A' ' 41' ' ' ILE . 0.4 OUTLIER -112.59 117.75 33.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.923 HD13 HD11 ' A' ' 98' ' ' ILE . 16.7 mt -93.3 146.41 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.813 ' C ' HD13 ' A' ' 43' ' ' LEU . 1.8 t -131.74 140.17 48.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.907 HD23 ' CG2' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -123.49 147.24 47.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.405 ' C ' HD13 ' A' ' 19' ' ' LEU . 9.7 m -116.97 110.77 18.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.434 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.432 ' CG ' ' HA ' ' A' ' 74' ' ' PRO . 45.6 t-20 -75.16 86.01 2.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.635 HG11 ' CE1' ' A' ' 20' ' ' HIS . 17.0 m -71.0 -28.61 33.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.555 HG23 ' HA ' ' A' ' 18' ' ' LEU . 2.8 p -66.16 158.41 28.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.375 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.36 28.11 3.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -148.68 143.91 26.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.564 HD12 ' HB2' ' A' ' 107' ' ' SER . 16.0 mt -44.99 145.51 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.58 HG11 ' HB2' ' A' ' 19' ' ' LEU . 94.9 t -128.3 122.9 58.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.522 ' O ' ' CZ2' ' A' ' 118' ' ' TRP . . . -90.02 109.53 20.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.583 ' CE1' HD13 ' A' ' 78' ' ' ILE . 51.9 p90 -102.9 160.68 14.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 111.035 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.58 ' HE3' ' CD1' ' A' ' 118' ' ' TRP . 29.8 mttm -152.29 131.08 12.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 1.044 HG21 HG21 ' A' ' 80' ' ' ILE . 46.3 t -102.03 137.62 29.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.1 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.578 ' HG3' HD23 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -145.62 166.41 25.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.349 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.427 ' OG1' ' N ' ' A' ' 58' ' ' THR . 0.4 OUTLIER -160.76 170.93 19.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.393 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.427 ' N ' ' OG1' ' A' ' 57' ' ' THR . 54.4 p -81.11 5.76 15.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.375 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.878 ' HB1' ' HD3' ' A' ' 62' ' ' LYS . . . -155.76 74.8 5.12 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -21.41 15.89 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.495 1.787 . . . . 0.0 110.959 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -90.27 29.07 1.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.102 . . . . 0.0 110.33 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.878 ' HD3' ' HB1' ' A' ' 59' ' ' ALA . 1.8 mtpm? -141.27 -46.32 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.414 ' CE2' ' HB3' ' A' ' 59' ' ' ALA . 26.2 m-85 -105.82 122.81 46.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 111.035 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -88.96 107.13 18.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 1.015 HG11 HG11 ' A' ' 55' ' ' VAL . 3.3 t -102.31 137.2 31.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.498 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.0 OUTLIER -163.3 132.35 2.99 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.723 ' HD2' HD13 ' A' ' 80' ' ' ILE . 18.2 Cg_endo -75.05 142.31 74.31 Favored 'Cis proline' 0 C--N 1.36 1.184 0 C-N-CA 120.967 -2.514 . . . . 0.0 110.993 0.042 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.428 ' HB3' ' O ' ' A' ' 65' ' ' VAL . 6.9 p -113.36 26.58 10.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.968 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 176.33 82.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.3 -179.64 7.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 109.986 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.422 ' HA ' ' O ' ' A' ' 51' ' ' VAL . 97.6 p -126.6 160.98 29.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.01 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.428 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 27.6 t -120.86 139.97 52.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 108.301 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -72.39 160.09 83.69 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.432 ' HA ' ' CG ' ' A' ' 45' ' ' ASN . 18.5 Cg_endo -74.92 125.25 9.24 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.525 1.803 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.47 34.47 16.54 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.423 1.077 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -143.23 178.22 7.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 0.733 . . . . 0.0 109.327 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.428 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 1.8 p -136.77 134.43 37.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.005 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.907 ' CG2' HD23 ' A' ' 43' ' ' LEU . 1.2 tt -105.04 169.79 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.415 ' OD1' HG22 ' A' ' 42' ' ' VAL . 1.6 m-20 -130.43 129.83 43.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 1.044 HG21 HG21 ' A' ' 55' ' ' VAL . 1.3 mm -122.96 103.03 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.2 mp -74.82 145.94 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.748 ' CG2' HG13 ' A' ' 65' ' ' VAL . 5.2 t -140.21 105.21 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.431 ' HB2' ' CB ' ' A' ' 38' ' ' LYS . 23.2 t -127.35 143.82 48.59 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.982 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 176.66 9.62 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.57 1.826 . . . . 0.0 110.965 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -91.89 134.41 34.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.555 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -54.49 119.48 12.44 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.539 1.15 . . . . 0.0 111.029 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 126.42 -41.94 1.56 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.565 ' C ' HD12 ' A' ' 88' ' ' LEU . 3.0 pp -97.63 -166.27 1.36 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 0.8 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.448 ' N ' HD12 ' A' ' 88' ' ' LEU . 0.8 OUTLIER -148.34 173.81 12.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 110.378 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.446 ' N ' ' OG1' ' A' ' 89' ' ' THR . 94.3 t -75.4 115.21 16.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.94 -161.33 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.002 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.401 ' HB2' ' O ' ' A' ' 136' ' ' VAL . . . -117.03 -45.69 2.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -68.74 -9.57 51.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.291 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.2 p30 -68.01 118.06 10.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.425 ' HG3' ' N ' ' A' ' 96' ' ' PHE . 5.4 tpp180 -117.87 144.8 45.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.318 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.518 ' CZ ' HG11 ' A' ' 82' ' ' VAL . 24.0 m-85 -110.94 154.07 24.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 111.044 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.578 HD23 ' HG3' ' A' ' 56' ' ' ARG . 19.1 tp -137.69 138.21 39.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.923 HD11 HD13 ' A' ' 41' ' ' ILE . 3.3 mt -128.5 118.92 48.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.695 ' HE3' ' CZ3' ' A' ' 118' ' ' TRP . 20.7 mtm -96.98 157.11 16.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 110.98 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.497 ' HB1' ' HB2' ' A' ' 19' ' ' LEU . . . -162.2 117.59 1.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 0.0 109.276 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.927 ' HB2' HG23 ' A' ' 126' ' ' VAL . . . -126.82 135.93 51.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.422 ' HG3' HG21 ' A' ' 47' ' ' THR . 2.6 tt0 -74.84 122.51 23.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.293 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.545 ' HG2' ' CE1' ' A' ' 117' ' ' PHE . 17.7 mtp -92.54 170.8 9.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.962 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -73.25 -145.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -85.62 -80.21 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.357 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.4 m -70.69 117.31 12.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.008 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.564 ' HB2' HD12 ' A' ' 50' ' ' ILE . 18.9 m -141.98 118.96 11.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 110.02 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -66.15 -15.29 62.84 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.452 1.095 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.517 HG21 HD13 ' A' ' 50' ' ' ILE . 46.2 p 40.83 52.07 3.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 110.408 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -120.86 -169.0 13.71 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.431 1.082 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -17.86 19.33 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.541 1.811 . . . . 0.0 111.006 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -91.74 -72.41 0.59 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 112' ' ' ALA . 3.1 mm-40 -38.15 -45.9 0.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 110.259 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 76.5 mt -61.43 -65.4 0.7 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -38.47 -38.93 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.991 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -74.82 -53.44 9.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.851 ' O ' HG12 ' A' ' 121' ' ' VAL . 89.8 t80 -56.23 -35.8 67.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 110.95 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' TRP . . . . . 0.874 ' CZ3' HG21 ' A' ' 126' ' ' VAL . 68.7 m95 -73.64 -16.98 61.21 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.39 -22.74 18.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -95.1 -40.81 9.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.851 HG12 ' O ' ' A' ' 117' ' ' PHE . 7.6 p -73.23 118.93 72.84 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.54 ' O ' HG12 ' A' ' 126' ' ' VAL . 18.4 Cg_endo -74.96 170.21 20.91 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.459 1.768 . . . . 0.0 111.033 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.59 ' HA ' HG12 ' A' ' 126' ' ' VAL . 0.0 OUTLIER -77.45 1.01 20.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.276 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.486 ' N ' ' HD2' ' A' ' 123' ' ' ARG . 38.8 t30 -99.91 -17.43 17.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.496 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 25.5 mmtt -100.37 -28.78 12.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.927 HG23 ' HB2' ' A' ' 101' ' ' ALA . 12.2 p -93.3 136.86 23.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' MET . . . . . 0.463 ' CE ' ' O ' ' A' ' 19' ' ' LEU . 64.4 ttp -81.37 154.76 26.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.972 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.492 ' HB3' HD11 ' A' ' 97' ' ' LEU . 27.8 mt-10 -141.06 117.17 10.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' HIS . . . . . 0.512 ' O ' HD12 ' A' ' 97' ' ' LEU . 13.0 t-80 -120.72 124.97 46.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.619 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.487 ' HG3' HD13 ' A' ' 97' ' ' LEU . 3.6 mpp_? -97.85 123.25 41.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.736 HD12 ' CD1' ' A' ' 98' ' ' ILE . 0.3 OUTLIER -94.72 157.81 15.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.465 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 0.2 OUTLIER -123.34 149.01 45.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.27 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 90.0 m -94.21 123.13 37.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 108.29 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -93.87 88.26 5.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.587 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.568 HG23 ' N ' ' A' ' 136' ' ' VAL . 12.8 t -145.23 -144.88 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.359 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.568 ' N ' HG23 ' A' ' 135' ' ' THR . 27.3 m -98.13 -175.32 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.245 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -136.58 172.9 12.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.94 173.76 6.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.017 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 38.0 t -147.11 110.2 4.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.998 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -135.49 154.78 78.62 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -177.73 3.67 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.506 1.793 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -118.56 -63.84 1.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.157 . . . . 0.0 109.344 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 22.7 t -151.16 -175.75 5.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.986 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -109.82 129.02 55.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 2.1 mtp -60.17 133.91 56.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.427 ' O ' ' CB ' ' A' ' 147' ' ' SER . 0.3 OUTLIER -55.68 162.82 1.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 147' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 146' ' ' LEU . 0.4 OUTLIER 79.42 -70.93 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 110.016 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -157.43 144.66 10.85 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.534 1.146 . . . . 0.0 110.963 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 170.43 20.44 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.478 1.778 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 52.2 p -125.87 105.23 8.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.995 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.6 165.79 0.13 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.997 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.504 1.128 . . . . 0.0 110.978 -179.993 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t 74.82 -58.32 0.58 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 0.772 . . . . 0.0 110.012 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.12 129.58 2.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.959 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.93 174.3 46.71 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.7 p -79.45 159.01 27.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 110.057 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -159.24 142.92 14.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.454 1.096 . . . . 0.0 110.027 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.85 118.43 1.65 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.472 1.107 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -165.57 146.85 7.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 0.792 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.63 153.7 58.48 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 133.67 16.86 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.525 1.803 . . . . 0.0 110.963 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -117.34 117.15 28.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.9 m -149.43 163.07 38.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 110.026 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.838 HG13 ' O ' ' A' ' 21' ' ' ILE . 71.3 t -136.05 127.4 43.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.752 ' CG ' ' CE1' ' A' ' 129' ' ' HIS . 68.0 t80 -73.86 95.46 2.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 111.024 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.611 ' HD3' ' CD2' ' A' ' 20' ' ' HIS . 23.3 mmtp -65.41 114.23 4.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -99.06 160.25 20.06 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.492 1.12 . . . . 0.0 110.965 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.427 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.3 Cg_endo -75.09 -14.85 20.82 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.473 1.775 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.568 ' HA ' HG23 ' A' ' 47' ' ' THR . 2.8 mt -125.94 -75.79 0.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.624 HD21 ' HB3' ' A' ' 72' ' ' CYS . 0.0 OUTLIER -108.01 139.14 43.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.1 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.841 ' CE1' HG11 ' A' ' 46' ' ' VAL . 0.3 OUTLIER -86.88 156.89 19.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.568 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.838 ' O ' HG13 ' A' ' 13' ' ' VAL . 2.9 mm -124.58 144.61 33.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.425 ' O ' ' HA ' ' A' ' 41' ' ' ILE . 6.7 t -155.41 127.35 3.85 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.022 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.425 ' C ' ' HA ' ' A' ' 22' ' ' SER . 18.2 Cg_endo -75.01 -176.69 18.6 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 120.953 -2.52 . . . . 0.0 110.994 -0.011 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.93 -93.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.436 ' HA ' HD23 ' A' ' 131' ' ' LEU . 3.5 pt-20 -132.7 60.57 1.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 110.283 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 23' ' ' PRO . 2.2 pt-20 -163.11 103.8 0.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.734 ' HG ' HD22 ' A' ' 131' ' ' LEU . 33.8 mt -99.5 142.95 30.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.452 ' CE1' ' HB3' ' A' ' 134' ' ' HIS . 2.1 m-85 -132.56 97.84 4.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -84.86 87.65 7.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 149.21 127.51 1.58 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.3 m -109.76 158.14 18.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.531 0.783 . . . . 0.0 109.996 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 24.0 mt -50.39 -37.07 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.13 -176.66 1.2 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 110.249 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.0 p -101.42 29.46 4.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.028 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.81 -132.25 0.03 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -120.33 159.03 25.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 0.749 . . . . 0.0 110.298 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.5 mtmt -91.44 70.24 5.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.694 ' HD2' HG23 ' A' ' 81' ' ' ILE . 0.3 OUTLIER -130.25 141.14 50.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.355 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.531 HG21 HD22 ' A' ' 27' ' ' LEU . 9.2 t -108.92 144.81 36.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.386 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.863 HD12 ' N ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -118.52 117.1 28.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.972 HD13 HD11 ' A' ' 98' ' ' ILE . 72.4 mt -91.3 135.34 27.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.6 t -107.57 142.07 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.845 ' HB2' HG22 ' A' ' 78' ' ' ILE . 18.4 mt -127.37 106.48 9.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -97.99 108.04 20.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.393 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.545 ' OD1' HD22 ' A' ' 19' ' ' LEU . 29.5 t30 -76.24 113.35 13.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.841 HG11 ' CE1' ' A' ' 20' ' ' HIS . 22.3 m -89.45 -30.47 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.568 HG23 ' HA ' ' A' ' 18' ' ' LEU . 1.0 OUTLIER -65.02 151.54 45.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.403 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.3 28.89 1.79 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.63 ' O ' HG23 ' A' ' 51' ' ' VAL . 83.2 m-20 -144.25 137.48 27.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.665 HG23 ' OG ' ' A' ' 71' ' ' SER . 10.0 mt -42.01 137.88 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.085 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.643 HG22 ' HA ' ' A' ' 102' ' ' GLU . 53.3 t -130.71 125.3 58.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.83 ' HB2' ' SD ' ' A' ' 103' ' ' MET . . . -87.19 128.63 35.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.815 ' CE2' HD13 ' A' ' 78' ' ' ILE . 38.7 p90 -118.06 158.8 24.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.539 ' HD2' ' CD2' ' A' ' 118' ' ' TRP . 8.2 mttm -150.27 148.59 29.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 1.081 HG21 HG21 ' A' ' 80' ' ' ILE . 91.9 t -115.8 111.5 35.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 44.9 mtt-85 -108.13 169.92 8.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.307 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.4 t -172.35 166.74 5.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.425 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 40.2 p -86.61 14.54 6.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 110.366 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.581 ' HB1' ' HD3' ' A' ' 62' ' ' LYS . . . -162.76 74.52 2.05 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -7.64 19.37 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.492 1.785 . . . . 0.0 110.976 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -109.14 32.61 4.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 110.289 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.639 ' HE3' HD22 ' A' ' 88' ' ' LEU . 24.5 mtpt -144.56 -46.14 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -101.36 122.29 43.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -79.44 97.63 6.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 110.345 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.489 HG23 ' CB ' ' A' ' 68' ' ' SER . 0.6 OUTLIER -101.14 116.4 44.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.513 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.4 OUTLIER -156.92 132.73 5.83 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.743 ' HD2' HD13 ' A' ' 80' ' ' ILE . 18.4 Cg_endo -75.01 147.4 89.19 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 121.049 -2.479 . . . . 0.0 110.973 0.068 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.489 ' CB ' HG23 ' A' ' 65' ' ' VAL . 1.9 p -112.99 -0.15 14.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 110.038 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.407 ' O ' ' HB2' ' A' ' 70' ' ' SER . 5.2 p30 -155.0 113.0 3.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.443 ' C ' HD11 ' A' ' 114' ' ' LEU . 0.1 OUTLIER 172.32 -165.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.998 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.922 ' HB3' HG22 ' A' ' 109' ' ' THR . 0.0 OUTLIER -138.93 160.54 39.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.017 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.624 ' HB3' HD21 ' A' ' 19' ' ' LEU . 28.1 t -121.59 116.93 25.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 108.289 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -46.92 160.47 0.33 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 121.52 6.63 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.455 1.766 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.11 41.3 8.11 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.431 1.082 . . . . 0.0 111.037 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -142.9 179.72 6.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 0.758 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.4 p -139.13 132.38 29.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.008 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.845 HG22 ' HB2' ' A' ' 43' ' ' LEU . 0.9 OUTLIER -104.94 171.82 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.477 ' CA ' HD11 ' A' ' 40' ' ' LEU . 69.3 m-20 -131.49 122.13 25.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 1.081 HG21 HG21 ' A' ' 55' ' ' VAL . 3.2 mm -116.56 104.44 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.694 HG23 ' HD2' ' A' ' 38' ' ' LYS . 2.6 mp -76.9 145.75 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.732 HG11 ' CZ ' ' A' ' 96' ' ' PHE . 95.6 t -139.85 99.44 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.7 t -120.85 130.92 24.63 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.03 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.54 ' HB2' HD11 ' A' ' 88' ' ' LEU . 18.4 Cg_endo -74.95 168.54 24.6 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -62.85 137.53 58.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 109.618 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -64.74 85.55 0.07 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 163.52 -70.9 0.2 Allowed Glycine 0 CA--C 1.53 1.03 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.639 HD22 ' HE3' ' A' ' 62' ' ' LYS . 2.4 pp -54.01 -178.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 0.8 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.423 ' OG1' ' N ' ' A' ' 90' ' ' VAL . 0.1 OUTLIER -122.83 170.75 9.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.392 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.423 ' N ' ' OG1' ' A' ' 89' ' ' THR . 39.2 t -98.17 106.1 18.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.128 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.1 m -106.79 168.74 8.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.965 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -92.24 35.85 1.0 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.108 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -108.92 -24.91 11.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.12 . . . . 0.0 110.268 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -84.85 162.58 19.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.18 152.31 37.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.732 ' CZ ' HG11 ' A' ' 82' ' ' VAL . 48.5 m-85 -117.82 152.54 35.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -137.22 103.79 5.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.972 HD11 HD13 ' A' ' 41' ' ' ILE . 3.7 mt -92.09 132.2 37.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.673 ' HE3' ' CZ3' ' A' ' 118' ' ' TRP . 27.4 mtm -111.42 155.03 23.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.559 ' C ' HG23 ' A' ' 126' ' ' VAL . . . -158.73 117.15 2.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.337 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.71 ' HB2' ' CB ' ' A' ' 126' ' ' VAL . . . -129.69 139.65 51.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.643 ' HA ' HG22 ' A' ' 51' ' ' VAL . 0.7 OUTLIER -69.73 127.36 32.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 110.281 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.83 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 16.6 mtp -96.64 171.94 8.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 111.028 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 103' ' ' MET . 3.2 mt-10 -60.57 -135.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.298 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.87 -81.57 0.49 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 110.274 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.5 m -94.46 104.22 16.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.031 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.49 145.14 36.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.023 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -87.88 140.16 16.27 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.556 1.16 . . . . 0.0 110.986 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.922 HG22 ' HB3' ' A' ' 71' ' ' SER . 19.4 p -93.53 60.09 3.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 0.772 . . . . 0.0 110.411 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.993 ' O ' HD23 ' A' ' 114' ' ' LEU . . . -103.34 -174.3 26.18 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -18.83 18.43 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.516 1.798 . . . . 0.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.466 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -92.67 -72.58 0.59 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' A' ' 112' ' ' ALA . 4.7 mm-40 -34.0 -40.47 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 110.326 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.993 HD23 ' O ' ' A' ' 110' ' ' GLY . 4.4 mm? -66.48 -69.83 0.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.6 t -43.17 -44.46 5.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.966 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.48 ' HA ' ' CG ' ' A' ' 119' ' ' LYS . 1.4 mt-30 -63.56 -35.13 79.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.672 ' O ' HG12 ' A' ' 121' ' ' VAL . 84.1 t80 -85.62 -20.92 28.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' TRP . . . . . 0.859 ' CZ3' HG21 ' A' ' 126' ' ' VAL . 63.1 m95 -89.06 -27.72 20.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 108.008 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.48 ' CG ' ' HA ' ' A' ' 116' ' ' GLN . 0.0 OUTLIER -80.49 -20.87 42.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -95.67 -45.68 6.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.285 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.672 HG12 ' O ' ' A' ' 117' ' ' PHE . 6.9 p -69.69 121.23 81.81 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.567 ' O ' HG12 ' A' ' 126' ' ' VAL . 18.3 Cg_endo -74.99 166.78 28.49 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.518 1.799 . . . . 0.0 110.969 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.492 ' HA ' HG12 ' A' ' 126' ' ' VAL . 0.0 OUTLIER -76.79 1.59 16.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -102.29 -9.63 20.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.527 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 29.5 mmtt -106.99 -22.68 12.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.859 HG21 ' CZ3' ' A' ' 118' ' ' TRP . 7.6 p -97.29 144.66 10.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' MET . . . . . 0.447 ' CE ' ' HB3' ' A' ' 100' ' ' ALA . 34.1 ttp -85.03 119.37 25.35 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.142 . . . . 0.0 111.053 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -101.12 122.27 43.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 110.288 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' HIS . . . . . 0.752 ' CE1' ' CG ' ' A' ' 14' ' ' PHE . 36.9 t60 -127.96 119.55 25.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.568 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.88 138.86 31.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.328 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.815 HD12 ' CD1' ' A' ' 98' ' ' ILE . 0.3 OUTLIER -118.92 145.79 45.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 109.362 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -113.57 160.83 18.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 77.5 m -111.46 125.13 53.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 108.317 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.452 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -90.14 132.26 35.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.568 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 71.5 p -124.79 157.74 35.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.35 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 54.4 t -137.64 113.57 11.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 64.5 124.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 110.311 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 11.9 t -78.89 118.0 20.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.953 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.54 158.56 17.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.992 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 62.77 154.97 0.12 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 177.93 7.94 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.494 1.786 . . . . 0.0 110.962 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -60.19 141.01 56.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.71 155.08 33.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.99 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 4.6 mm? 62.03 142.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.91 161.48 41.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 111.04 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 56.3 tp -78.95 133.95 36.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.13 -60.78 1.79 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.564 1.165 . . . . 0.0 110.0 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -170.29 102.48 0.18 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.477 1.111 . . . . 0.0 111.022 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 174.42 12.82 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.487 1.783 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 71.68 142.15 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.995 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 17.0 m -149.82 98.92 2.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.155 . . . . 0.0 109.982 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.515 1.134 . . . . 0.0 111.037 179.973 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.1 p -148.1 114.17 5.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 0.789 . . . . 0.0 109.994 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.8 t -115.52 142.57 46.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.032 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.25 85.02 0.2 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.502 1.126 . . . . 0.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.76 -65.02 0.88 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 0.759 . . . . 0.0 109.99 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 55.28 84.61 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.995 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.92 150.94 6.52 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.466 1.104 . . . . 0.0 111.016 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.79 141.99 46.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.62 157.56 0.57 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -174.43 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.475 1.776 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -151.15 157.46 42.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.0 p -110.97 141.68 44.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.996 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.786 HG22 ' OG ' ' A' ' 22' ' ' SER . 95.0 t -136.92 120.37 22.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.459 ' CD2' ' ND1' ' A' ' 129' ' ' HIS . 34.8 t80 -73.37 95.1 2.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.978 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.659 ' HD3' ' CD2' ' A' ' 20' ' ' HIS . 22.2 mmtp -62.29 106.82 0.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -92.96 159.6 24.61 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.554 1.159 . . . . 0.0 111.015 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.448 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.3 Cg_endo -74.98 -15.59 20.71 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.493 1.786 . . . . 0.0 111.02 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.607 ' HA ' HG23 ' A' ' 47' ' ' THR . 0.3 OUTLIER -127.24 -73.6 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.274 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.686 HD23 ' CG1' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -108.26 127.36 53.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.659 ' CD2' ' HD3' ' A' ' 15' ' ' LYS . 0.3 OUTLIER -79.94 127.4 32.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.642 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 1.017 HG21 ' CD2' ' A' ' 129' ' ' HIS . 1.4 mm -95.53 143.79 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.786 ' OG ' HG22 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -152.05 131.0 6.52 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 109.975 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.536 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 18.4 Cg_endo -74.95 -161.13 2.38 Favored 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 121.052 -2.478 . . . . 0.0 111.04 -0.085 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.25 -107.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.441 ' HB2' ' CD ' ' A' ' 132' ' ' ARG . 0.9 OUTLIER -105.07 65.23 0.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.587 1.179 . . . . 0.0 110.263 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.536 ' O ' ' HG2' ' A' ' 23' ' ' PRO . 7.9 pt-20 -163.0 144.58 9.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.429 1.081 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.678 ' HG ' HG21 ' A' ' 39' ' ' THR . 1.7 tp -147.87 122.3 9.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.459 ' CE1' ' HB3' ' A' ' 134' ' ' HIS . 2.8 m-85 -121.89 126.37 48.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.519 ' CG ' HG21 ' A' ' 90' ' ' VAL . 8.4 m-85 -110.83 97.78 7.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -133.11 174.36 20.63 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.523 1.139 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.4 m -70.16 140.75 52.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 0.791 . . . . 0.0 110.003 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.9 mt -126.45 -67.6 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -168.02 -61.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 110.317 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.09 22.69 14.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.99 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -143.05 131.24 4.48 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -94.99 100.26 12.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 0.795 . . . . 0.0 110.281 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.0 mttm 49.95 83.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.446 ' CB ' ' HB2' ' A' ' 83' ' ' SER . 0.3 OUTLIER -149.14 162.68 39.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.678 HG21 ' HG ' ' A' ' 27' ' ' LEU . 3.9 t -118.49 161.32 20.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.403 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.51 ' CD1' ' C ' ' A' ' 80' ' ' ILE . 0.7 OUTLIER -132.25 117.09 17.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 1.0 HD13 HD11 ' A' ' 98' ' ' ILE . 28.9 mt -90.76 136.02 25.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.8 t -112.76 136.39 49.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.84 ' HB2' HG22 ' A' ' 78' ' ' ILE . 37.4 mt -119.99 106.91 12.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.4 m -96.15 109.0 21.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.421 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.415 ' CG ' ' HA ' ' A' ' 74' ' ' PRO . 56.1 t-20 -76.46 113.07 13.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.572 HG11 ' CE1' ' A' ' 20' ' ' HIS . 7.5 m -91.76 -40.38 12.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.607 HG23 ' HA ' ' A' ' 18' ' ' LEU . 1.3 p -52.37 156.8 1.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.368 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.89 29.16 2.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.566 ' O ' HG23 ' A' ' 51' ' ' VAL . 9.5 m-80 -151.11 137.47 18.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.416 ' C ' ' O ' ' A' ' 49' ' ' ASN . 43.4 mt -38.96 147.09 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.954 HG22 ' HA ' ' A' ' 102' ' ' GLU . 41.0 t -138.54 125.31 26.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.835 ' HB1' ' CD1' ' A' ' 114' ' ' LEU . . . -82.12 137.11 35.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.835 ' CE2' HD13 ' A' ' 78' ' ' ILE . 17.9 p90 -126.62 162.48 25.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.998 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.572 ' HD2' ' CD1' ' A' ' 118' ' ' TRP . 24.7 mttt -155.15 156.12 35.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.733 HG21 HG21 ' A' ' 80' ' ' ILE . 21.7 t -137.39 121.47 22.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.519 ' CD ' ' HB3' ' A' ' 97' ' ' LEU . 5.0 ppt_? -136.36 172.9 12.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.403 ' OG1' ' N ' ' A' ' 58' ' ' THR . 0.1 OUTLIER -158.66 169.76 23.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.391 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.403 ' N ' ' OG1' ' A' ' 57' ' ' THR . 77.7 p -72.89 -2.69 21.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 110.411 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.722 ' HB1' ' CD ' ' A' ' 62' ' ' LYS . . . -148.98 75.73 9.76 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -14.97 20.88 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.525 1.803 . . . . 0.0 111.009 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.513 ' O ' ' CD2' ' A' ' 85' ' ' HIS . 15.2 pt-20 -93.03 15.72 14.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.722 ' CD ' ' HB1' ' A' ' 59' ' ' ALA . 4.8 mttp -128.03 -46.04 1.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.451 ' OH ' ' CB ' ' A' ' 94' ' ' ASP . 55.3 m-85 -102.12 116.11 31.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 111.027 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 83' ' ' SER . 2.5 tpt180 -81.01 99.59 8.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.723 HG13 HG22 ' A' ' 82' ' ' VAL . 2.6 t -97.95 131.77 44.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.511 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.4 OUTLIER -163.71 134.26 3.37 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.797 ' HD2' HD13 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -75.02 140.63 68.37 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 121.027 -2.489 . . . . 0.0 110.956 0.024 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.419 ' HB3' ' O ' ' A' ' 65' ' ' VAL . 11.7 p -111.92 40.87 2.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 110.01 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.419 ' O ' ' HB2' ' A' ' 70' ' ' SER . 6.4 p-10 167.51 108.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.58 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 21.4 t 172.09 -169.47 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 0.0 110.017 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.518 ' N ' ' OG ' ' A' ' 70' ' ' SER . 0.7 OUTLIER -137.45 154.01 49.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.004 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.445 ' HB3' HD21 ' A' ' 19' ' ' LEU . 52.5 t -114.48 117.42 30.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.455 1.097 . . . . 0.0 108.336 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.04 165.2 0.62 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.415 ' HA ' ' CG ' ' A' ' 45' ' ' ASN . 18.4 Cg_endo -74.96 134.62 18.1 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.534 1.807 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.87 30.73 61.07 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.448 1.092 . . . . 0.0 111.054 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -134.44 -179.84 5.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 0.775 . . . . 0.0 109.266 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.419 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 2.0 p -145.03 133.41 21.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.019 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.84 HG22 ' HB2' ' A' ' 43' ' ' LEU . 0.9 OUTLIER -105.4 169.42 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.406 ' O ' ' HD2' ' A' ' 67' ' ' PRO . 2.0 m-20 -130.4 123.19 29.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.797 HD13 ' HD2' ' A' ' 67' ' ' PRO . 2.2 mm -120.72 108.31 22.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.407 HD12 HD13 ' A' ' 40' ' ' LEU . 2.4 mp -78.49 146.74 7.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.723 HG22 HG13 ' A' ' 65' ' ' VAL . 7.3 t -140.62 101.98 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.446 ' HB2' ' CB ' ' A' ' 38' ' ' LYS . 47.7 t -126.69 146.87 58.62 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.973 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 177.1 9.02 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.501 1.79 . . . . 0.0 111.03 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.513 ' CD2' ' O ' ' A' ' 61' ' ' GLU . 0.2 OUTLIER -59.55 -24.19 63.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.62 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 102.25 -35.61 4.84 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.547 1.155 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -94.18 33.39 5.29 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.3 pp -163.31 177.77 8.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.757 . . . . 0.0 109.314 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.7 165.37 11.22 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.132 . . . . 0.0 110.414 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.519 HG21 ' CG ' ' A' ' 29' ' ' PHE . 3.1 t -76.66 -12.94 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.3 m 52.1 177.01 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.43 1.081 . . . . 0.0 110.006 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -109.81 -5.15 15.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -91.77 -34.12 14.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 110.299 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.451 ' CB ' ' OH ' ' A' ' 63' ' ' TYR . 1.9 p-10 -46.7 145.11 2.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 109.253 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.8 mmm180 -146.75 134.54 21.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 110.295 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.632 ' CZ ' ' CG1' ' A' ' 82' ' ' VAL . 69.0 m-85 -105.07 155.22 19.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.678 HD23 ' HD2' ' A' ' 130' ' ' ARG . 3.2 tm? -136.07 138.66 42.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 1.0 HD11 HD13 ' A' ' 41' ' ' ILE . 5.1 mt -127.88 141.79 45.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.342 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 4.5 mtp -117.76 155.12 30.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.964 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.447 ' HB3' ' HE2' ' A' ' 127' ' ' MET . . . -157.9 125.39 5.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.765 ' HB1' HG21 ' A' ' 121' ' ' VAL . . . -138.13 132.72 32.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.357 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.954 ' HA ' HG22 ' A' ' 51' ' ' VAL . 1.3 tt0 -68.72 116.54 9.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.297 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.648 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 21.8 mtp -88.67 172.56 9.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -91.01 -169.29 2.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.293 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -53.7 -81.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.286 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.66 128.14 35.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.009 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 10.7 m -167.26 109.28 0.65 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 110.011 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.405 ' O ' ' OG1' ' A' ' 109' ' ' THR . . . -81.01 -6.53 89.4 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.465 1.103 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.727 ' HA ' HD21 ' A' ' 114' ' ' LEU . 44.8 p 46.48 35.14 2.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 110.391 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.931 ' O ' HD23 ' A' ' 114' ' ' LEU . . . -86.12 -166.06 41.69 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -22.07 15.37 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.478 1.778 . . . . 0.0 111.04 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.484 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -93.11 -65.64 0.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.484 ' C ' ' O ' ' A' ' 112' ' ' ALA . 2.8 mm-40 -32.31 -40.41 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.304 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.931 HD23 ' O ' ' A' ' 110' ' ' GLY . 3.5 mm? -71.88 -69.03 0.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.6 -31.87 2.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.998 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.5 ' HA ' ' CG ' ' A' ' 119' ' ' LYS . 2.4 mt-30 -80.51 -31.56 37.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.685 ' HE2' ' HB3' ' A' ' 101' ' ' ALA . 82.9 t80 -83.84 -21.78 31.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' TRP . . . . . 0.637 ' HA ' HG12 ' A' ' 121' ' ' VAL . 63.4 m95 -87.21 -28.4 22.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 108.01 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.5 ' CG ' ' HA ' ' A' ' 116' ' ' GLN . 0.0 OUTLIER -81.3 -22.77 38.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.362 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.43 ' CG ' ' HD2' ' A' ' 119' ' ' LYS . 1.8 mt-10 -93.28 -44.99 8.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.765 HG21 ' HB1' ' A' ' 101' ' ' ALA . 5.9 p -69.27 125.13 91.74 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.737 ' O ' HG23 ' A' ' 126' ' ' VAL . 18.3 Cg_endo -74.95 154.47 42.75 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.502 1.791 . . . . 0.0 110.96 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.43 -32.69 62.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -63.02 -26.29 68.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.273 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.48 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 32.3 mmtt -101.16 7.47 43.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 122' ' ' PRO . 75.1 t -112.48 123.83 68.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' MET . . . . . 0.501 ' HE1' ' CG1' ' A' ' 21' ' ' ILE . 16.6 ttp -90.52 101.69 14.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.473 ' HB3' HD21 ' A' ' 97' ' ' LEU . 6.1 mt-10 -86.11 124.58 32.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 110.353 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' HIS . . . . . 1.017 ' CD2' HG21 ' A' ' 21' ' ' ILE . 78.0 t60 -122.02 112.01 17.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.635 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.678 ' HD2' HD23 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -91.43 123.82 35.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.354 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.574 HD22 ' CD2' ' A' ' 129' ' ' HIS . 0.3 OUTLIER -92.52 144.06 25.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.337 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.441 ' CD ' ' HB2' ' A' ' 25' ' ' GLU . 4.8 ptp180 -123.19 142.07 51.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 9.7 t -78.54 149.7 33.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 108.297 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.459 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 2.5 t60 -85.65 85.45 7.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.58 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 12.3 p -127.36 -178.88 4.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.398 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 6.5 p -155.97 163.66 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -46.47 120.25 2.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 46.7 t -171.77 135.01 0.83 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.021 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 7.4 t 67.07 166.79 0.23 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.965 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.0 115.98 2.39 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 170.3 20.72 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.482 1.78 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 70.16 149.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 28.5 m -109.18 97.89 7.42 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 110.046 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.402 ' HA ' HD22 ' A' ' 144' ' ' LEU . 0.3 OUTLIER -98.4 165.55 11.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.3 ttt -57.04 109.66 0.69 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.968 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.04 166.16 17.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 15.7 t -45.55 -54.31 7.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.002 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 53.18 -152.02 8.83 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 174.01 13.5 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.453 1.765 . . . . 0.0 111.004 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 70.8 m -54.17 104.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.973 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 53.7 p -87.14 164.13 16.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.017 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.489 1.118 . . . . 0.0 111.037 -179.98 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 t -157.07 160.57 39.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 0.773 . . . . 0.0 109.984 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.52 170.36 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.43 105.78 0.27 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.4 m -161.7 158.58 26.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 0.738 . . . . 0.0 109.983 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.39 137.21 1.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.034 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.15 138.51 3.27 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.91 168.17 11.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 0.735 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.55 155.43 36.51 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 158.75 41.68 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.49 1.784 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -159.49 166.26 31.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.2 m -118.42 148.28 42.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.033 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.625 HG22 ' CE ' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -132.75 143.09 40.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.339 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.537 ' CG ' ' NE2' ' A' ' 129' ' ' HIS . 21.6 t80 -73.28 96.26 2.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 110.976 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.625 ' CE ' HG22 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -58.42 99.84 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -89.82 155.07 24.39 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.483 1.114 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.424 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.3 Cg_endo -74.99 -19.66 17.65 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.455 1.766 . . . . 0.0 110.978 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.496 ' HA ' ' CG2' ' A' ' 47' ' ' THR . 3.1 mt -120.41 -75.61 0.59 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.626 HD22 ' OD1' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -109.64 134.46 51.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.303 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.807 ' CE1' HG11 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -80.75 156.06 26.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.656 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.779 HD13 ' CD2' ' A' ' 43' ' ' LEU . 2.7 mm -128.98 122.89 57.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.563 ' O ' HG23 ' A' ' 41' ' ' ILE . 4.5 t -131.66 128.93 21.92 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.978 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.497 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 18.3 Cg_endo -74.98 -162.56 2.82 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 121.001 -2.5 . . . . 0.0 111.009 -0.102 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.31 -98.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.276 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.507 ' O ' ' CG ' ' A' ' 132' ' ' ARG . 22.6 mt-10 -115.51 66.72 0.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.341 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.583 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 2.3 pt-20 -162.95 153.19 16.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.465 HD23 ' HA ' ' A' ' 27' ' ' LEU . 12.6 mt -149.76 127.3 11.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.662 ' CE2' ' CD2' ' A' ' 134' ' ' HIS . 3.7 m-85 -109.43 120.93 44.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.932 ' CE2' HG21 ' A' ' 90' ' ' VAL . 57.2 m-85 -111.99 50.87 0.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.955 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -168.97 98.82 0.14 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.47 160.19 15.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 0.789 . . . . 0.0 110.003 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.0 tt -55.07 -31.76 26.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -68.38 148.88 50.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.7 m -104.13 25.64 9.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.953 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -101.95 56.22 0.69 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.479 1.112 . . . . 0.0 111.047 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 71.42 123.38 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.557 0.798 . . . . 0.0 110.272 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -78.49 117.57 19.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.96 157.68 43.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.486 ' CG2' ' HB ' ' A' ' 82' ' ' VAL . 9.4 t -112.7 160.4 17.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.428 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.549 HD12 ' N ' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -131.74 117.9 19.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.563 HG23 ' O ' ' A' ' 22' ' ' SER . 11.4 mt -90.96 146.4 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.6 t -119.39 135.6 59.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.842 ' HB2' HG22 ' A' ' 78' ' ' ILE . 19.1 mt -121.09 105.73 10.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.407 ' HB ' ' HB2' ' A' ' 20' ' ' HIS . 1.6 m -97.54 106.72 19.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.372 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.626 ' OD1' HD22 ' A' ' 19' ' ' LEU . 9.6 t-20 -69.78 111.33 5.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.807 HG11 ' CE1' ' A' ' 20' ' ' HIS . 11.3 m -101.69 34.09 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.251 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.496 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 1.2 p -120.72 163.59 17.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.127 . . . . 0.0 110.389 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -97.06 23.06 7.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.521 ' O ' HG23 ' A' ' 51' ' ' VAL . 8.4 m-80 -154.06 143.2 21.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 24.1 mt -43.73 148.66 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.348 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.831 HG22 ' HA ' ' A' ' 102' ' ' GLU . 54.2 t -138.96 122.47 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.839 ' HB1' ' CD1' ' A' ' 114' ' ' LEU . . . -80.64 138.57 36.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.85 ' CE2' HD13 ' A' ' 78' ' ' ILE . 18.0 p90 -131.46 147.72 52.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.16 . . . . 0.0 111.006 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.498 ' HD2' ' CD1' ' A' ' 118' ' ' TRP . 29.7 mttt -139.3 155.68 47.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 1.146 HG21 HG21 ' A' ' 80' ' ' ILE . 49.8 t -125.34 116.9 48.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.661 ' HB2' HD12 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -126.05 172.48 9.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 110.3 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.414 HG23 ' H ' ' A' ' 59' ' ' ALA . 4.5 t -164.36 167.9 19.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.418 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.41 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 9.2 p -87.83 24.21 1.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.383 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.486 ' HB1' ' HE3' ' A' ' 62' ' ' LYS . . . 179.84 71.95 0.16 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 0.54 8.73 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.445 1.76 . . . . 0.0 110.999 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -102.12 48.05 0.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.336 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.529 ' HD2' ' CE2' ' A' ' 63' ' ' TYR . 0.3 OUTLIER -168.57 -40.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.352 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.529 ' CE2' ' HD2' ' A' ' 62' ' ' LYS . 63.3 m-85 -101.75 134.54 44.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.993 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.21 92.62 6.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.462 ' O ' ' CG2' ' A' ' 65' ' ' VAL . 0.7 OUTLIER -97.9 118.4 44.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.369 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.519 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.6 OUTLIER -157.72 133.8 6.12 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.255 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.681 ' HD2' HD13 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -74.99 146.78 87.62 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 120.981 -2.508 . . . . 0.0 111.024 -0.044 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.461 ' HB3' ' O ' ' A' ' 65' ' ' VAL . 8.1 p -112.95 17.86 18.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.006 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.407 ' O ' ' HB2' ' A' ' 70' ' ' SER . 16.3 p-10 -171.18 107.64 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.613 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 46.4 t 177.82 -166.67 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.005 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.493 ' HB2' ' CG2' ' A' ' 109' ' ' THR . 0.8 OUTLIER -139.14 160.73 39.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.976 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.567 ' HB3' HD21 ' A' ' 19' ' ' LEU . 41.4 t -122.76 116.16 23.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 108.308 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -49.51 163.16 0.39 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 127.78 10.92 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.482 1.78 . . . . 0.0 110.941 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.48 35.28 33.37 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.126 . . . . 0.0 110.974 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -137.94 -178.89 5.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 0.768 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.0 p -142.85 134.06 25.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.004 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.85 HD13 ' CE2' ' A' ' 53' ' ' PHE . 1.0 OUTLIER -104.97 172.79 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.456 ' O ' HD13 ' A' ' 80' ' ' ILE . 3.2 m-20 -130.52 124.02 30.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 1.146 HG21 HG21 ' A' ' 55' ' ' VAL . 4.2 mm -120.19 103.45 14.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.4 mp -77.1 147.82 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.614 HG11 ' CZ ' ' A' ' 96' ' ' PHE . 96.9 t -140.68 97.48 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.09 124.51 34.49 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.026 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.508 ' HG3' ' CD1' ' A' ' 29' ' ' PHE . 18.4 Cg_endo -74.99 160.65 39.92 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.491 1.785 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.471 ' HB2' HD11 ' A' ' 88' ' ' LEU . 1.6 t-80 -51.8 -177.38 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.623 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.16 -59.78 0.93 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.507 1.129 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -55.65 -66.35 2.9 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.575 ' C ' HD12 ' A' ' 88' ' ' LEU . 1.2 pp -68.35 -178.33 1.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.578 0.81 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.439 ' OG1' ' N ' ' A' ' 90' ' ' VAL . 0.0 OUTLIER -140.09 171.01 14.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.428 1.08 . . . . 0.0 110.444 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.932 HG21 ' CE2' ' A' ' 29' ' ' PHE . 7.6 p -91.1 126.81 43.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.4 m -129.47 -173.78 3.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.993 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.529 ' HB2' ' OG1' ' A' ' 135' ' ' THR . . . -93.01 40.38 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -115.97 -34.29 4.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.302 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -92.52 165.01 13.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -143.94 153.61 42.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.614 ' CZ ' HG11 ' A' ' 82' ' ' VAL . 27.4 m-85 -110.67 154.06 24.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.811 HD13 ' N ' ' A' ' 98' ' ' ILE . 1.9 tm? -133.6 146.75 51.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.811 ' N ' HD13 ' A' ' 97' ' ' LEU . 3.5 mt -137.36 137.54 45.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.564 ' HE2' ' CE2' ' A' ' 118' ' ' TRP . 18.7 mtp -110.39 153.2 25.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 110.975 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 52' ' ' ALA . . . -161.81 117.59 2.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.572 ' HB1' HG11 ' A' ' 121' ' ' VAL . . . -136.33 135.28 38.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.831 ' HA ' HG22 ' A' ' 51' ' ' VAL . 1.2 tt0 -69.96 119.99 15.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.752 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 13.2 mtp -89.88 172.0 9.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -68.26 -141.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 110.247 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -97.52 -32.1 11.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.294 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.74 136.5 45.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.993 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.461 ' HB2' ' HE2' ' A' ' 103' ' ' MET . 1.0 OUTLIER -173.91 127.75 0.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.001 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -86.73 -4.63 82.45 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.523 1.139 . . . . 0.0 111.021 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.778 ' HA ' HD21 ' A' ' 114' ' ' LEU . 68.0 p 43.01 36.52 0.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 0.783 . . . . 0.0 110.402 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.966 ' O ' HD23 ' A' ' 114' ' ' LEU . . . -88.72 -163.09 39.04 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.474 1.109 . . . . 0.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -47.62 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.495 1.787 . . . . 0.0 111.054 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.49 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -73.01 -60.54 2.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.49 ' C ' ' O ' ' A' ' 112' ' ' ALA . 27.5 mp0 -31.78 -52.42 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.329 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.966 HD23 ' O ' ' A' ' 110' ' ' GLY . 3.7 mm? -62.41 -69.65 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 114' ' ' LEU . 0.1 OUTLIER -39.02 -30.23 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.012 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 114' ' ' LEU . 3.4 mm100 -80.84 -53.68 6.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.988 ' O ' HG23 ' A' ' 121' ' ' VAL . 72.7 t80 -53.97 -42.07 68.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' TRP . . . . . 0.945 ' CZ3' HG13 ' A' ' 126' ' ' VAL . 24.5 m95 -67.16 -16.54 64.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 107.967 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.445 ' HG2' ' O ' ' A' ' 119' ' ' LYS . 0.0 OUTLIER -89.41 -15.73 32.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -97.82 -40.84 8.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.988 HG23 ' O ' ' A' ' 117' ' ' PHE . 2.3 t -71.09 129.26 89.56 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.927 ' O ' HG23 ' A' ' 126' ' ' VAL . 18.4 Cg_endo -74.97 170.33 20.66 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.471 1.774 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.19 2.51 15.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.243 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -101.01 -22.54 14.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.509 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 23.6 mmtt -102.25 -31.67 10.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.329 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.945 HG13 ' CZ3' ' A' ' 118' ' ' TRP . 47.1 t -70.44 109.67 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' MET . . . . . 0.424 ' SD ' ' HD2' ' A' ' 17' ' ' PRO . 36.4 ttp -79.88 117.37 20.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 110.986 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.732 ' HB3' HD21 ' A' ' 97' ' ' LEU . 15.1 mt-10 -106.04 124.28 49.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' HIS . . . . . 0.537 ' NE2' ' CG ' ' A' ' 14' ' ' PHE . 7.5 t-80 -118.35 118.33 31.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.603 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.689 ' HD2' HD23 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -95.52 130.27 42.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.32 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.622 HD12 ' CD1' ' A' ' 98' ' ' ILE . 1.3 mt -101.74 166.6 10.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.507 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -131.81 158.13 42.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.31 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 63.5 m -84.39 145.1 28.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 108.257 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.662 ' CD2' ' CE2' ' A' ' 28' ' ' TYR . 27.1 t-80 -84.56 49.87 1.78 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.657 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.529 ' OG1' ' HB2' ' A' ' 92' ' ' ALA . 7.4 p -74.22 -176.15 2.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.388 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.627 ' O ' HG13 ' A' ' 136' ' ' VAL . 7.6 p -174.29 59.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -147.02 74.12 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.32 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.23 156.77 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.107 . . . . 0.0 109.981 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 5.8 t -174.69 112.35 0.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.969 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.23 121.85 2.93 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.266 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -177.73 3.68 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.512 1.796 . . . . 0.0 110.991 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -150.35 151.89 33.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.16 137.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 0.0 109.999 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -178.63 111.84 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -178.57 85.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.997 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -174.94 175.57 2.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.77 -57.13 3.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.007 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 44.64 95.12 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.122 . . . . 0.0 111.003 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 60.34 5.39 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.503 1.791 . . . . 0.0 111.03 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 16.1 m -122.94 147.72 46.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.994 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -102.7 -77.65 0.56 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.039 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.538 1.149 . . . . 0.0 110.983 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.1 m -107.74 86.16 2.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 0.737 . . . . 0.0 109.977 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.3 t -103.09 123.99 47.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 110.025 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.1 -153.66 6.03 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.462 1.101 . . . . 0.0 111.054 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.5 t -177.25 -54.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 110.006 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.2 m 61.04 159.94 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.001 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.78 -166.07 12.99 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.57 119.82 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 0.782 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.95 154.05 47.4 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.352 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 109.39 2.92 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.464 1.771 . . . . 0.0 110.968 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.77 158.35 32.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.9 m -139.57 140.34 37.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.017 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.522 HG22 ' HE3' ' A' ' 15' ' ' LYS . 1.2 m -129.55 139.37 51.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.747 ' CG ' ' CE1' ' A' ' 129' ' ' HIS . 56.2 t80 -75.45 95.5 3.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.522 ' HE3' HG22 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -65.11 115.36 5.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.247 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -97.55 165.33 22.37 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.429 1.081 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.431 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.3 Cg_endo -75.0 -16.17 20.35 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.539 1.81 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.56 ' HA ' HG23 ' A' ' 47' ' ' THR . 3.4 mt -125.25 -73.07 0.64 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.501 ' HB2' ' HB1' ' A' ' 100' ' ' ALA . 0.0 OUTLIER -110.44 134.44 52.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.347 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.908 ' CE1' HG11 ' A' ' 46' ' ' VAL . 0.7 OUTLIER -82.72 154.99 24.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 109.591 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.481 HD12 ' CG2' ' A' ' 98' ' ' ILE . 1.6 mm -124.4 140.1 48.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.515 ' O ' HG23 ' A' ' 41' ' ' ILE . 0.3 OUTLIER -150.99 130.27 6.49 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.048 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.469 ' C ' ' HA ' ' A' ' 22' ' ' SER . 18.5 Cg_endo -75.0 178.69 33.58 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 120.979 -2.509 . . . . 0.0 111.029 0.006 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.31 -99.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.432 ' O ' ' CZ ' ' A' ' 132' ' ' ARG . 3.9 pm0 -128.52 61.21 1.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.282 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.406 ' O ' ' HG2' ' A' ' 23' ' ' PRO . 0.0 OUTLIER -162.65 103.81 1.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 110.308 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.884 ' HG ' HD22 ' A' ' 131' ' ' LEU . 27.8 mt -101.01 141.07 34.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.551 ' CE1' ' HB3' ' A' ' 134' ' ' HIS . 1.4 m-85 -130.95 91.97 3.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -72.71 86.25 1.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 60.89 138.02 0.01 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.501 1.126 . . . . 0.0 111.026 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 33' ' ' GLU . 7.3 m -116.19 113.92 23.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 0.777 . . . . 0.0 110.002 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.1 mt 66.07 -74.02 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 31' ' ' SER . 1.8 mm-40 -165.01 93.57 0.62 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.45 22.32 7.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 110.029 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 61.37 137.27 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.53 1.144 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 43.66 90.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 0.772 . . . . 0.0 110.283 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.5 mttm -76.59 59.28 1.49 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.42 144.56 40.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.572 ' OG1' HD22 ' A' ' 27' ' ' LEU . 6.6 t -107.13 129.17 54.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.38 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.629 HD12 ' N ' ' A' ' 41' ' ' ILE . 2.6 tp -111.51 119.15 37.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.798 HD13 HD11 ' A' ' 98' ' ' ILE . 36.7 mt -90.78 146.79 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 t -116.93 127.64 74.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.704 ' HB2' HG22 ' A' ' 78' ' ' ILE . 11.6 mt -112.97 106.59 14.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.402 ' HB ' ' HB2' ' A' ' 20' ' ' HIS . 2.8 m -98.16 108.82 21.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 110.394 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -76.3 113.28 13.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.908 HG11 ' CE1' ' A' ' 20' ' ' HIS . 12.7 m -86.95 -39.38 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.56 HG23 ' HA ' ' A' ' 18' ' ' LEU . 1.6 p -52.33 160.25 0.84 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.384 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt -97.07 29.03 3.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.26 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.593 ' O ' HG23 ' A' ' 51' ' ' VAL . 7.1 m-80 -151.61 137.13 17.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 49' ' ' ASN . 17.4 mt -40.14 142.99 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.872 HG22 ' HA ' ' A' ' 102' ' ' GLU . 41.1 t -135.66 109.04 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.843 ' HB2' ' SD ' ' A' ' 103' ' ' MET . . . -69.85 139.36 53.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.623 ' CE2' HG21 ' A' ' 78' ' ' ILE . 16.8 p90 -129.7 162.24 28.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.553 ' HE3' ' CD1' ' A' ' 118' ' ' TRP . 12.0 mttm -146.05 157.18 43.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 1.076 HG21 HG21 ' A' ' 80' ' ' ILE . 57.8 t -129.02 107.05 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 0.0 109.324 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.469 ' O ' ' N ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -118.65 142.06 48.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 110.321 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.44 168.93 18.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.413 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 31.8 p -78.67 2.62 18.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.401 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.554 ' HB1' ' HD3' ' A' ' 62' ' ' LYS . . . -154.29 75.2 5.95 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.426 1.079 . . . . 0.0 109.343 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -3.93 14.64 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.535 1.808 . . . . 0.0 110.99 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -108.3 26.72 10.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 110.277 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.563 ' HE3' HD22 ' A' ' 88' ' ' LEU . 14.6 mtpt -138.82 -46.69 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -101.51 134.48 44.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.07 102.59 14.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 110.355 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.475 ' CG2' ' HB3' ' A' ' 68' ' ' SER . 0.6 OUTLIER -104.32 119.21 52.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.453 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.0 OUTLIER -153.4 128.75 4.99 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.722 ' O ' HG23 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -74.99 152.66 98.49 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 121.023 -2.49 . . . . 0.0 111.024 -0.035 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.475 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 42.9 p -112.36 -14.22 13.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.022 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.455 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 1.2 p-10 -145.91 87.53 1.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.344 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.583 ' HB2' ' CZ ' ' A' ' 53' ' ' PHE . 2.3 m -155.86 -164.94 1.83 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 0.0 110.012 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.472 ' HG ' ' C ' ' A' ' 51' ' ' VAL . 2.8 t -140.26 171.69 13.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.958 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.479 ' HB3' HD21 ' A' ' 19' ' ' LEU . 39.1 t -134.84 115.99 14.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 108.31 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.87 162.66 0.36 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 133.45 16.65 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.518 1.799 . . . . 0.0 111.033 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.09 8.91 87.21 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -118.67 -178.74 3.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 0.748 . . . . 0.0 109.259 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.474 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 2.8 p -146.11 137.29 24.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.986 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.704 HG22 ' HB2' ' A' ' 43' ' ' LEU . 2.1 tt -105.19 166.41 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.628 ' HB2' HD11 ' A' ' 40' ' ' LEU . 2.7 p30 -121.18 117.18 26.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 1.076 HG21 HG21 ' A' ' 55' ' ' VAL . 6.2 mm -108.19 95.15 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.412 ' N ' HD13 ' A' ' 40' ' ' LEU . 3.3 mp -71.62 144.87 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.693 HG11 ' CZ ' ' A' ' 96' ' ' PHE . 55.6 t -139.6 97.24 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.35 136.64 24.08 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.97 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 173.9 13.72 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.519 1.799 . . . . 0.0 110.948 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -64.67 -37.18 86.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.619 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 126.18 -75.4 0.41 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.123 . . . . 0.0 111.033 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -38.18 -66.3 0.62 Allowed Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.563 HD22 ' HE3' ' A' ' 62' ' ' LYS . 3.5 pp -52.41 -175.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 0.754 . . . . 0.0 109.334 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.3 t -136.16 168.41 19.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.376 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.5 HG12 HG22 ' A' ' 135' ' ' THR . 75.0 t -92.4 129.08 43.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.447 ' HA ' HG21 ' A' ' 135' ' ' THR . 1.7 t -134.23 174.66 10.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.024 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -92.51 37.3 1.0 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -112.22 -31.63 6.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -85.69 150.0 24.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 96' ' ' PHE . 0.0 OUTLIER -134.18 143.58 47.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.251 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.693 ' CZ ' HG11 ' A' ' 82' ' ' VAL . 10.7 m-85 -107.71 154.12 21.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 111.043 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 56' ' ' ARG . 3.2 tm? -139.65 126.03 20.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.798 HD11 HD13 ' A' ' 41' ' ' ILE . 3.0 mt -117.4 123.42 71.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.716 ' HE3' ' CZ3' ' A' ' 118' ' ' TRP . 24.6 mtm -102.83 153.7 19.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 111.017 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.615 ' C ' HG23 ' A' ' 126' ' ' VAL . . . -155.56 118.59 4.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.351 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.785 ' HB2' ' HB ' ' A' ' 126' ' ' VAL . . . -129.16 135.89 49.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.872 ' HA ' HG22 ' A' ' 51' ' ' VAL . 1.3 tt0 -70.34 119.72 14.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 110.247 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.843 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 4.3 mtp -86.71 171.11 11.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -79.79 -143.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.74 -166.94 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.2 m -53.48 113.6 1.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.987 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.1 m -134.33 142.26 47.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.039 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.43 ' N ' ' OE1' ' A' ' 113' ' ' GLU . . . -58.45 -171.61 0.31 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.501 1.125 . . . . 0.0 110.997 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.718 ' HA ' HD21 ' A' ' 114' ' ' LEU . 36.8 p -148.27 33.32 0.81 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.477 0.751 . . . . 0.0 110.381 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.898 ' O ' HD23 ' A' ' 114' ' ' LEU . . . -78.11 -169.93 35.26 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.533 1.146 . . . . 0.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -20.09 17.19 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.567 1.825 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.477 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -92.66 -65.15 1.02 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.477 ' C ' ' O ' ' A' ' 112' ' ' ALA . 2.1 mm-40 -33.09 -43.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.898 HD23 ' O ' ' A' ' 110' ' ' GLY . 3.8 mm? -70.58 -69.89 0.33 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 114' ' ' LEU . 1.8 t -34.75 -37.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 114' ' ' LEU . 1.0 OUTLIER -70.99 -56.98 5.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.243 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.84 ' O ' HG12 ' A' ' 121' ' ' VAL . 70.6 t80 -57.89 -26.35 62.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' TRP . . . . . 0.813 ' CZ3' HG21 ' A' ' 126' ' ' VAL . 89.9 m95 -81.78 -16.07 52.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 107.991 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.443 ' HD3' ' CG ' ' A' ' 120' ' ' GLU . 0.0 OUTLIER -88.88 -20.67 24.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.443 ' CG ' ' HD3' ' A' ' 119' ' ' LYS . 4.8 mt-10 -99.88 -47.26 5.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.84 HG12 ' O ' ' A' ' 117' ' ' PHE . 7.3 p -69.64 125.38 91.94 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.57 ' O ' HG12 ' A' ' 126' ' ' VAL . 18.3 Cg_endo -75.01 177.11 9.03 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.535 1.808 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.455 ' C ' ' CD ' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -88.49 0.26 56.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.342 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -103.45 -5.23 23.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.548 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 35.4 mmtt -107.46 -29.62 9.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.813 HG21 ' CZ3' ' A' ' 118' ' ' TRP . 6.0 p -89.19 144.3 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' MET . . . . . 0.473 ' O ' ' HA ' ' A' ' 99' ' ' MET . 43.0 ttp -85.64 139.67 31.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -118.02 126.36 52.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.323 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' HIS . . . . . 0.747 ' CE1' ' CG ' ' A' ' 14' ' ' PHE . 62.7 t60 -135.26 118.43 16.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.595 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.417 ' HA ' ' O ' ' A' ' 96' ' ' PHE . 0.1 OUTLIER -93.58 131.87 38.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.884 HD22 ' HG ' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -108.81 144.05 37.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.26 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.432 ' CZ ' ' O ' ' A' ' 25' ' ' GLU . 8.0 ptt-85 -124.64 148.32 48.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.335 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' CYS . . . . . 0.473 ' SG ' HG23 ' A' ' 135' ' ' THR . 15.0 p -91.87 146.17 23.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 108.32 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.551 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -109.45 66.69 0.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.629 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.5 HG22 HG12 ' A' ' 90' ' ' VAL . 47.5 p -52.2 143.68 14.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.425 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 7.5 p -74.36 137.85 22.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 11.4 mp0 -101.29 168.74 9.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.269 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 77.15 -57.19 0.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.948 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 88.9 p 54.13 -173.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.974 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -104.77 107.93 59.64 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -178.12 3.95 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.495 1.787 . . . . 0.0 110.986 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -169.75 141.95 2.39 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 109.349 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 3.2 t -150.55 -59.79 0.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.02 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 2.0 tt 60.34 91.34 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -177.23 143.25 0.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 1.1 mp -130.41 139.73 50.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 97.6 p -163.08 104.57 1.0 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.963 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 56.96 -178.43 0.79 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.484 1.115 . . . . 0.0 111.041 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -41.58 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.505 1.792 . . . . 0.0 110.98 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.0 87.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.017 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.54 90.02 4.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.982 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 179.963 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -158.59 141.37 14.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 0.76 . . . . 0.0 110.002 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.13 168.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.039 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -78.63 167.33 52.89 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.542 1.151 . . . . 0.0 110.957 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 4' ' ' GLY . 33.2 m -39.62 109.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 109.988 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.94 -52.42 17.29 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 110.015 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.21 178.67 20.76 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.479 1.112 . . . . 0.0 110.957 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.02 178.0 6.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.19 156.56 10.47 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 143.72 29.56 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.555 1.819 . . . . 0.0 111.038 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -135.34 153.41 51.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.8 m -152.7 151.95 31.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.98 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.739 HG13 ' O ' ' A' ' 21' ' ' ILE . 48.1 t -132.77 123.62 49.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.515 ' CG ' ' NE2' ' A' ' 129' ' ' HIS . 77.0 t80 -73.64 95.57 2.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.61 ' HD3' ' CD2' ' A' ' 20' ' ' HIS . 21.0 mmtp -63.34 110.97 2.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.49 157.31 21.84 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.465 1.103 . . . . 0.0 110.955 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.404 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.3 Cg_endo -75.01 -15.28 20.8 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.784 . . . . 0.0 111.018 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.505 ' HA ' ' CG2' ' A' ' 47' ' ' THR . 6.7 mt -124.66 -72.28 0.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.581 HD23 ' CG1' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -113.21 134.04 54.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.326 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.68 ' CE1' HG11 ' A' ' 46' ' ' VAL . 0.3 OUTLIER -81.23 157.35 25.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.604 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.739 ' O ' HG13 ' A' ' 13' ' ' VAL . 1.7 mm -124.62 139.65 50.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.457 ' O ' HG23 ' A' ' 41' ' ' ILE . 5.3 t -152.25 126.66 4.54 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.006 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.434 ' C ' ' HA ' ' A' ' 22' ' ' SER . 18.4 Cg_endo -74.94 -177.32 20.13 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.02 -2.492 . . . . 0.0 111.025 -0.051 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.44 -98.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -126.69 58.1 1.42 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -163.16 103.69 0.98 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 1.012 HD22 HD22 ' A' ' 131' ' ' LEU . 0.1 OUTLIER -86.11 144.43 27.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -132.09 92.17 3.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 111.042 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.572 ' CE2' HG22 ' A' ' 39' ' ' THR . 95.7 m-85 -82.96 98.22 9.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 111.026 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 60.39 125.71 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.5 1.125 . . . . 0.0 111.042 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 33' ' ' GLU . 9.6 t -118.75 132.81 56.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 0.77 . . . . 0.0 110.019 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 18.0 mm 66.38 -74.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -174.53 94.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 110.335 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.6 m -128.04 31.13 5.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.423 1.077 . . . . 0.0 110.056 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 60.16 -113.57 5.54 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.469 1.106 . . . . 0.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -46.18 115.64 1.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 0.751 . . . . 0.0 110.311 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.7 mtmm -91.6 53.43 2.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.29 142.85 44.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.69 ' OG1' HD12 ' A' ' 27' ' ' LEU . 9.4 t -105.4 144.01 32.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.392 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.651 HD12 ' N ' ' A' ' 41' ' ' ILE . 2.5 tp -121.4 120.61 35.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.651 ' N ' HD12 ' A' ' 40' ' ' LEU . 32.8 mt -89.25 153.44 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 t -124.56 129.52 73.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.75 ' HB2' HG22 ' A' ' 78' ' ' ILE . 10.4 mt -116.32 103.89 10.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.406 ' HB ' ' HB2' ' A' ' 20' ' ' HIS . 1.0 OUTLIER -91.67 110.14 21.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 0.0 110.373 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 72' ' ' CYS . 18.3 t-20 -72.77 119.41 16.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.68 HG11 ' CE1' ' A' ' 20' ' ' HIS . 8.7 m -114.51 39.43 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.505 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 1.8 p -127.61 158.73 36.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.178 . . . . 0.0 110.388 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.66 27.52 2.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.504 ' O ' HG23 ' A' ' 51' ' ' VAL . 8.2 m-80 -159.35 135.48 8.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.428 ' C ' ' O ' ' A' ' 49' ' ' ASN . 13.0 mt -37.68 140.99 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.581 ' CG1' HD23 ' A' ' 19' ' ' LEU . 71.0 t -127.3 119.52 52.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.803 ' HB1' ' CD1' ' A' ' 114' ' ' LEU . . . -84.54 131.0 34.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.835 ' HE2' HD13 ' A' ' 78' ' ' ILE . 10.3 p90 -120.61 159.74 24.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.512 ' HD2' ' CE2' ' A' ' 118' ' ' TRP . 4.2 mttm -147.2 143.2 28.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 1.089 HG21 HG21 ' A' ' 80' ' ' ILE . 95.7 t -114.63 117.0 54.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -122.31 168.69 11.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.401 ' OG1' ' N ' ' A' ' 58' ' ' THR . 1.7 t -168.2 172.02 8.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.391 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.401 ' N ' ' OG1' ' A' ' 57' ' ' THR . 10.9 p -84.44 8.82 15.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.376 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.4 ' HB1' ' HB2' ' A' ' 62' ' ' LYS . . . -154.21 76.28 5.77 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.258 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -1.6 11.44 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.481 1.779 . . . . 0.0 111.041 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -119.61 30.16 7.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.34 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.47 ' O ' ' HA ' ' A' ' 84' ' ' PRO . 18.3 mttt -137.28 -46.37 0.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -102.1 127.82 48.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 111.033 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.503 ' CB ' ' O ' ' A' ' 83' ' ' SER . 5.0 ttt180 -85.87 93.65 8.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 110.321 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 0.7 OUTLIER -99.05 116.09 41.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.446 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.2 OUTLIER -152.78 127.85 4.82 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 109.243 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.838 ' O ' HG23 ' A' ' 80' ' ' ILE . 18.2 Cg_endo -74.99 154.39 99.67 Favored 'Cis proline' 0 C--N 1.361 1.19 0 C-N-CA 121.023 -2.491 . . . . 0.0 110.976 -0.041 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.475 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 39.6 p -112.33 -18.69 12.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.002 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 39.4 p-10 -142.07 90.64 2.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.453 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -156.86 -167.85 2.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.005 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.564 ' OG ' HG22 ' A' ' 109' ' ' THR . 0.7 OUTLIER -138.84 172.62 12.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 110.02 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.457 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 44.3 t -134.87 120.6 19.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 108.313 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.6 160.17 0.62 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 119.29 5.59 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.534 1.808 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.92 22.31 23.52 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.448 1.092 . . . . 0.0 111.043 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -137.41 -178.38 5.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 0.785 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.485 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 3.2 p -142.6 141.15 31.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.019 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.835 HD13 ' HE2' ' A' ' 53' ' ' PHE . 1.3 tt -104.53 162.44 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.365 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.604 ' HB3' HD11 ' A' ' 40' ' ' LEU . 12.9 m-20 -118.3 117.65 29.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 1.089 HG21 HG21 ' A' ' 55' ' ' VAL . 6.0 mm -110.09 97.17 5.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.405 ' N ' HD13 ' A' ' 40' ' ' LEU . 3.2 mp -72.44 144.59 12.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.569 HG11 ' CZ ' ' A' ' 96' ' ' PHE . 97.0 t -135.73 97.92 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.503 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -126.06 119.94 23.86 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.032 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.47 ' HA ' ' O ' ' A' ' 62' ' ' LYS . 18.5 Cg_endo -74.94 173.82 13.83 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.492 1.785 . . . . 0.0 111.038 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.721 ' HB2' HD21 ' A' ' 88' ' ' LEU . 1.3 m-70 -49.61 133.99 20.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.595 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -65.11 87.49 0.08 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.451 1.094 . . . . 0.0 111.021 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 156.44 -72.29 0.25 Allowed Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.721 HD21 ' HB2' ' A' ' 85' ' ' HIS . 4.0 pp -51.9 -177.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 0.745 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 69.2 p -106.3 -166.77 1.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 110.357 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.403 ' O ' ' O ' ' A' ' 91' ' ' SER . 1.0 OUTLIER -112.76 -3.88 10.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 90' ' ' VAL . 3.7 m 41.32 -162.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.009 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.414 ' HB2' HG22 ' A' ' 135' ' ' THR . . . -150.64 24.71 0.77 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -106.1 -33.69 7.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.327 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.17 171.47 10.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.137 . . . . 0.0 109.339 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -144.51 160.83 40.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.569 ' CZ ' HG11 ' A' ' 82' ' ' VAL . 14.5 m-85 -120.67 151.81 39.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.107 . . . . 0.0 111.024 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.46 HD12 ' H ' ' A' ' 98' ' ' ILE . 25.2 tp -134.84 136.71 42.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.787 ' CD1' HD12 ' A' ' 131' ' ' LEU . 3.2 mt -127.88 121.86 57.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.742 ' HE3' ' CZ3' ' A' ' 118' ' ' TRP . 28.7 mtm -101.71 157.9 16.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.56 ' C ' HG23 ' A' ' 126' ' ' VAL . . . -161.23 119.19 2.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.794 ' HB2' ' HB ' ' A' ' 126' ' ' VAL . . . -128.09 141.99 51.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.412 ' HA ' HG22 ' A' ' 51' ' ' VAL . 1.5 tt0 -69.9 112.6 6.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.583 ' HG2' ' CZ ' ' A' ' 117' ' ' PHE . 0.0 OUTLIER -87.02 172.32 10.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.981 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' A' ' 103' ' ' MET . 2.0 mt-10 -60.59 -143.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 110.302 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -97.09 -78.92 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.72 107.88 20.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 109.981 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 27.0 m -154.64 130.33 9.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.968 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.44 152.75 44.28 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.537 1.148 . . . . 0.0 110.984 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.635 ' HA ' ' CD2' ' A' ' 114' ' ' LEU . 38.9 p -103.65 19.36 20.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 0.752 . . . . 0.0 110.386 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.736 ' O ' HD23 ' A' ' 114' ' ' LEU . . . -56.09 -179.77 0.42 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -16.11 20.35 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.473 1.775 . . . . 0.0 110.969 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.456 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -92.77 -64.8 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 112' ' ' ALA . 17.0 mp0 -34.09 -53.73 0.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.803 ' CD1' ' HB1' ' A' ' 52' ' ' ALA . 4.6 mm? -55.17 -69.18 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.458 ' C ' ' O ' ' A' ' 114' ' ' LEU . 0.1 OUTLIER -34.06 -44.27 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 110.013 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.408 ' O ' ' HD2' ' A' ' 119' ' ' LYS . 8.2 mm-40 -61.74 -59.63 4.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.154 . . . . 0.0 110.254 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.858 ' O ' HG12 ' A' ' 121' ' ' VAL . 51.3 t80 -56.05 -31.53 63.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' TRP . . . . . 0.856 ' CZ3' HG21 ' A' ' 126' ' ' VAL . 90.6 m95 -76.39 -15.89 59.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 107.997 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.434 ' HD3' ' CG ' ' A' ' 120' ' ' GLU . 0.2 OUTLIER -90.77 -18.18 25.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.434 ' CG ' ' HD3' ' A' ' 119' ' ' LYS . 4.2 mt-10 -103.95 -46.32 4.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.858 HG12 ' O ' ' A' ' 117' ' ' PHE . 8.9 p -69.59 121.94 84.07 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.59 ' O ' HG12 ' A' ' 126' ' ' VAL . 18.2 Cg_endo -75.08 165.9 30.24 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.464 1.77 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.48 ' HA ' ' CG1' ' A' ' 126' ' ' VAL . 0.0 OUTLIER -76.99 0.92 19.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -102.44 -7.73 21.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.534 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 31.1 mmtt -107.73 -25.68 11.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.856 HG21 ' CZ3' ' A' ' 118' ' ' TRP . 4.8 p -92.87 143.44 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' MET . . . . . 0.433 ' HG2' ' N ' ' A' ' 128' ' ' GLU . 50.7 ttp -82.26 149.1 28.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.991 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.433 ' N ' ' HG2' ' A' ' 127' ' ' MET . 63.0 mt-10 -128.84 126.13 39.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 110.315 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' HIS . . . . . 0.515 ' NE2' ' CG ' ' A' ' 14' ' ' PHE . 29.6 t-80 -135.99 122.3 20.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.587 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.94 139.62 30.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.325 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 1.012 HD22 HD22 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -117.09 150.64 38.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.263 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.5 159.96 38.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.309 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 9.2 t -87.25 158.29 19.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 108.304 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -120.62 71.14 0.91 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.596 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.414 HG22 ' HB2' ' A' ' 92' ' ' ALA . 8.5 t -131.65 -167.24 1.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.408 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 7.6 p -109.35 131.53 59.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.335 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.67 146.18 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 110.289 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 2.9 t -39.71 148.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.966 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 13.8 t -71.16 137.52 48.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.97 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 70.26 120.57 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -36.45 2.54 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.531 1.806 . . . . 0.0 110.963 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 6.2 t30 58.93 111.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 37.2 m -54.82 132.73 46.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.021 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.24 146.12 52.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -41.66 108.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 7.5 tp -161.32 -55.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.414 1.071 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.2 m 56.87 81.4 0.13 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.109 . . . . 0.0 109.98 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 173.81 -175.47 46.4 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.496 1.123 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 128.28 11.41 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.52 1.8 . . . . 0.0 111.008 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 1.8 t -166.46 -58.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 110.008 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 1.6 t -51.53 138.5 22.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.989 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 179.98 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m 62.08 164.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 0.755 . . . . 0.0 110.005 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.6 t -171.86 154.82 3.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 110.002 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.04 131.5 1.32 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 t 66.61 164.34 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 0.78 . . . . 0.0 110.017 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 t -174.19 167.72 4.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.972 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.66 -170.2 13.33 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.459 1.099 . . . . 0.0 110.983 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -149.32 157.57 43.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 0.753 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.418 ' HE3' ' NE2' ' A' ' 134' ' ' HIS . 0.0 OUTLIER -143.84 151.78 53.9 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 175.74 10.83 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.465 1.771 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.69 142.04 30.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.5 m -146.3 155.25 42.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.002 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.443 HG22 ' CE ' ' A' ' 15' ' ' LYS . 0.9 OUTLIER -129.16 147.39 33.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.74 ' CG ' ' CE1' ' A' ' 129' ' ' HIS . 19.3 t80 -76.33 96.07 3.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.443 ' CE ' HG22 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -51.39 94.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 14' ' ' PHE . . . -76.91 152.47 40.58 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.468 1.105 . . . . 0.0 110.961 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -18.23 18.93 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.479 1.779 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.424 ' HA ' ' CG2' ' A' ' 47' ' ' THR . 0.4 OUTLIER -131.91 -57.77 0.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.579 HD22 ' OD1' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -120.03 131.7 55.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.584 ' CE1' HG11 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -78.49 156.5 29.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.621 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.525 HD12 ' CG2' ' A' ' 98' ' ' ILE . 2.4 mm -126.84 121.9 59.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.464 ' O ' ' HA ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -131.05 125.76 21.29 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.994 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.42 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 18.2 Cg_endo -75.06 -172.77 11.25 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.979 -2.509 . . . . 0.0 110.958 0.031 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.79 -68.35 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.86 ' HA ' HD23 ' A' ' 131' ' ' LEU . 2.6 pm0 -156.58 58.6 0.55 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.268 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.456 ' CG ' ' C ' ' A' ' 25' ' ' GLU . 2.1 mt-10 -155.03 103.35 2.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 1.043 HD22 HD22 ' A' ' 131' ' ' LEU . 0.2 OUTLIER -100.64 109.04 21.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -88.88 91.8 8.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.516 ' CE2' ' HB3' ' A' ' 27' ' ' LEU . 70.0 m-85 -85.75 98.75 10.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 111.052 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.01 83.39 1.36 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.496 1.122 . . . . 0.0 111.036 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 33' ' ' GLU . 13.8 m -104.68 128.63 52.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 0.782 . . . . 0.0 110.008 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.9 mp 65.62 -75.89 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 31' ' ' SER . 0.3 OUTLIER -61.57 158.39 15.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.313 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.1 m -100.54 -23.24 14.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.02 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -98.65 163.12 20.57 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.464 1.102 . . . . 0.0 111.047 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 49.42 81.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 0.762 . . . . 0.0 110.243 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -105.2 73.03 1.02 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.261 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.498 ' HG2' ' N ' ' A' ' 39' ' ' THR . 0.3 OUTLIER -124.34 141.88 51.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.317 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.569 ' OG1' HD12 ' A' ' 27' ' ' LEU . 1.3 t -110.65 160.96 16.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 110.379 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.689 HD12 ' N ' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -131.49 123.11 27.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.549 1.156 . . . . 0.0 109.285 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.689 ' N ' HD12 ' A' ' 40' ' ' LEU . 10.2 mt -91.16 156.8 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.7 t -129.24 126.18 63.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.839 ' HB2' HG22 ' A' ' 78' ' ' ILE . 23.5 mt -112.5 102.19 10.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.402 ' O ' ' HB2' ' A' ' 20' ' ' HIS . 0.9 OUTLIER -92.4 108.11 19.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 110.447 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.579 ' OD1' HD22 ' A' ' 19' ' ' LEU . 34.8 t30 -74.14 106.13 5.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.584 HG11 ' CE1' ' A' ' 20' ' ' HIS . 10.8 m -97.92 37.83 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.424 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 1.1 p -124.12 163.82 20.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.425 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -97.81 24.92 6.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 109.269 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.549 ' O ' HG23 ' A' ' 51' ' ' VAL . 3.9 m-80 -157.02 137.06 12.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.554 HD12 ' HB2' ' A' ' 107' ' ' SER . 56.1 mt -40.09 148.28 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.851 HG22 ' HA ' ' A' ' 102' ' ' GLU . 53.7 t -138.4 118.23 14.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.681 ' HB3' ' HE2' ' A' ' 117' ' ' PHE . . . -80.88 132.73 35.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.936 ' CE2' HG21 ' A' ' 78' ' ' ILE . 6.9 p90 -122.64 154.92 37.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.423 ' HD2' ' CD2' ' A' ' 118' ' ' TRP . 6.7 mttm -139.23 147.21 41.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.087 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.985 HG21 HG21 ' A' ' 80' ' ' ILE . 96.3 t -113.82 107.08 22.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 97' ' ' LEU . 1.1 tmt_? -110.17 155.85 21.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.292 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.48 HG23 ' H ' ' A' ' 59' ' ' ALA . 5.0 t -158.58 169.74 23.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.385 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.4 p -87.73 21.58 2.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.413 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.48 ' H ' HG23 ' A' ' 57' ' ' THR . . . -168.23 75.23 0.87 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -5.27 16.59 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.521 1.8 . . . . 0.0 111.003 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -118.28 35.88 4.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.287 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.48 ' HB2' ' HB1' ' A' ' 59' ' ' ALA . 15.9 mtpt -145.69 -44.82 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.627 ' HE1' HG12 ' A' ' 90' ' ' VAL . 90.3 m-85 -101.21 134.02 44.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.81 101.7 14.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.256 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 0.7 OUTLIER -112.09 115.27 49.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 67' ' ' PRO . 0.0 OUTLIER -149.87 125.62 5.01 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.822 ' HD2' HD13 ' A' ' 80' ' ' ILE . 18.4 Cg_endo -75.04 157.85 99.32 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 120.999 -2.501 . . . . 0.0 111.04 0.051 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.474 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 54.6 p -112.84 -10.85 13.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.988 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -157.4 85.24 0.92 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -141.56 -163.6 1.6 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 110.022 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.477 ' OG ' HG23 ' A' ' 50' ' ' ILE . 11.8 t -138.09 170.54 15.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.007 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 43.7 t -140.41 118.58 11.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 108.331 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.59 164.52 1.1 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 136.8 20.86 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.483 1.781 . . . . 0.0 111.005 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.01 23.52 71.59 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.48 1.113 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -138.64 -179.07 5.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.765 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.487 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 3.9 p -145.21 143.88 30.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.963 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.936 HG21 ' CE2' ' A' ' 53' ' ' PHE . 1.3 tt -105.15 165.6 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.433 ' HB2' HD11 ' A' ' 40' ' ' LEU . 15.0 p-10 -116.84 123.45 47.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.985 HG21 HG21 ' A' ' 55' ' ' VAL . 2.8 mm -120.52 106.26 18.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.162 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.456 HG23 ' CD ' ' A' ' 38' ' ' LYS . 2.6 mp -81.52 148.56 5.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.517 ' HB ' HG23 ' A' ' 39' ' ' THR . 80.1 t -140.12 96.95 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -114.9 118.72 40.32 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.025 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.469 ' HG3' ' CG1' ' A' ' 90' ' ' VAL . 18.3 Cg_endo -75.02 153.97 42.06 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.478 1.778 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.45 ' O ' ' N ' ' A' ' 88' ' ' LEU . 0.2 OUTLIER -54.17 108.36 0.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 109.622 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -39.34 -36.71 0.65 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -59.62 -45.75 95.13 Favored Glycine 0 CA--C 1.531 1.077 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 85' ' ' HIS . 2.9 pp -107.17 -170.72 1.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 0.797 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.453 ' OG1' ' N ' ' A' ' 90' ' ' VAL . 0.0 OUTLIER -137.37 171.65 14.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.385 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.627 HG12 ' HE1' ' A' ' 63' ' ' TYR . 5.9 m -76.15 -2.18 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.447 ' O ' ' HB2' ' A' ' 92' ' ' ALA . 0.9 OUTLIER 52.69 -89.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 109.979 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 90' ' ' VAL . . . 177.58 -40.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -68.07 -28.23 67.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.319 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.46 ' CB ' ' OH ' ' A' ' 63' ' ' TYR . 7.0 p-10 -41.35 144.86 0.29 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.105 . . . . 0.0 109.338 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 19.4 mmm-85 -140.42 144.99 36.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.511 ' CZ ' ' CG1' ' A' ' 82' ' ' VAL . 22.1 m-85 -119.65 154.19 34.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.603 HD12 ' H ' ' A' ' 98' ' ' ILE . 42.9 tp -133.57 148.06 51.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.344 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.888 ' CD1' HD12 ' A' ' 131' ' ' LEU . 3.1 mt -138.25 123.05 22.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.601 ' CE ' ' CZ3' ' A' ' 118' ' ' TRP . 7.6 mtp -99.1 154.98 17.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 111.05 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.456 ' HB1' ' HB2' ' A' ' 19' ' ' LEU . . . -159.48 116.62 2.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.261 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.794 ' HB2' HG23 ' A' ' 126' ' ' VAL . . . -130.68 133.17 45.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.851 ' HA ' HG22 ' A' ' 51' ' ' VAL . 1.2 tt0 -69.83 120.38 15.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 110.321 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.587 ' HG2' ' CE1' ' A' ' 117' ' ' PHE . 0.0 OUTLIER -89.17 172.65 8.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 111.041 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -72.71 -169.88 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 110.317 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -67.92 -42.08 81.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.32 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.47 115.66 27.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.975 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.554 ' HB2' HD12 ' A' ' 50' ' ' ILE . 22.2 m -136.48 106.94 6.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.039 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -72.07 -9.04 70.9 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 66.6 p 39.9 51.25 2.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 0.752 . . . . 0.0 110.419 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -117.35 -170.77 15.36 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.495 1.122 . . . . 0.0 111.029 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -21.13 16.27 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.481 1.779 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -91.78 -69.31 0.75 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 109.263 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 112' ' ' ALA . 2.1 mm-40 -38.44 -46.24 1.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 118' ' ' TRP . 87.1 mt -62.8 -60.61 3.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.536 ' O ' ' CG ' ' A' ' 119' ' ' LYS . 0.4 OUTLIER -53.14 -26.95 18.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.041 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.521 ' HA ' ' CG ' ' A' ' 119' ' ' LYS . 1.1 tt0 -82.98 -35.19 26.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.685 ' O ' HG12 ' A' ' 121' ' ' VAL . 12.1 t80 -83.24 -22.9 32.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 111.006 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' TRP . . . . . 0.888 ' CZ3' HG21 ' A' ' 126' ' ' VAL . 62.4 m95 -87.6 -27.07 22.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 108.034 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.536 ' CG ' ' O ' ' A' ' 115' ' ' SER . 0.0 OUTLIER -82.99 -22.43 33.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -94.27 -42.91 8.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.318 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.685 HG12 ' O ' ' A' ' 117' ' ' PHE . 7.9 p -69.59 122.62 86.34 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.657 ' O ' HG12 ' A' ' 126' ' ' VAL . 18.3 Cg_endo -74.96 -173.08 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.518 1.799 . . . . 0.0 111.016 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.524 ' HA ' HG12 ' A' ' 126' ' ' VAL . 0.0 OUTLIER -93.22 0.83 57.21 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.444 ' N ' ' HD2' ' A' ' 123' ' ' ARG . 2.4 t-20 -102.32 -13.57 17.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.523 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 27.5 mmtt -102.7 -28.98 11.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.888 HG21 ' CZ3' ' A' ' 118' ' ' TRP . 14.8 p -92.19 137.96 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' MET . . . . . 0.411 ' C ' ' SD ' ' A' ' 127' ' ' MET . 19.1 tmm? -85.43 137.13 33.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 111.058 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.429 ' HB3' HD11 ' A' ' 97' ' ' LEU . 62.5 mt-10 -119.26 128.66 54.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' HIS . . . . . 0.74 ' CE1' ' CG ' ' A' ' 14' ' ' PHE . 63.0 t60 -131.89 123.03 26.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.59 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -93.83 136.28 34.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.278 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 1.043 HD22 HD22 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -111.61 158.69 18.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.258 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -140.81 156.1 46.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 133' ' ' CYS . . . . . 0.499 ' SG ' HG23 ' A' ' 135' ' ' THR . 26.5 p -81.49 157.72 24.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 108.278 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.418 ' NE2' ' HE3' ' A' ' 9' ' ' LYS . 51.0 t60 -113.3 61.82 0.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.606 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.499 HG23 ' SG ' ' A' ' 133' ' ' CYS . 69.9 p -57.42 171.75 0.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.436 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 14.8 p -157.58 50.63 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.5 81.76 0.6 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.39 -61.05 0.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.003 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.16 -54.94 1.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.173 . . . . 0.0 109.961 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' LYS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 141' ' ' PRO . 0.0 OUTLIER -177.39 147.87 0.69 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 141' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 140' ' ' LYS . 18.4 Cg_endo -74.93 -58.0 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.475 1.776 . . . . 0.0 111.048 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -143.65 168.9 18.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.33 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.0 138.04 10.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.972 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -72.7 71.44 1.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 20.7 ptt? -137.75 171.36 14.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 111.014 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -48.35 136.97 11.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 5.1 t -179.03 161.52 1.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.968 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -172.42 151.16 13.83 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.491 1.119 . . . . 0.0 110.999 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -177.8 3.73 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.494 1.786 . . . . 0.0 111.051 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 50.8 p -135.9 156.33 48.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.982 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 65.6 p -177.63 161.94 1.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.008 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.482 1.114 . . . . 0.0 110.984 179.979 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.9 m . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.565 HG22 ' HE3' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -130.48 147.82 33.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.491 ' CG ' ' CE1' ' A' ' 129' ' ' HIS . 26.5 t80 -74.65 95.62 2.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.983 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.622 ' HG3' ' CE1' ' A' ' 20' ' ' HIS . 0.1 OUTLIER -58.28 92.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.439 ' H ' ' CD2' ' A' ' 20' ' ' HIS . . . -83.5 153.26 30.02 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.423 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.3 Cg_endo -75.03 -17.79 19.18 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.516 1.798 . . . . 0.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.535 ' HA ' HG23 ' A' ' 47' ' ' THR . 7.1 mt -120.18 -75.82 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.643 ' HB2' HG11 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -111.54 132.87 54.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.319 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.622 ' CE1' ' HG3' ' A' ' 15' ' ' LYS . 14.5 m170 -80.25 155.87 27.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.616 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.614 HD13 HD22 ' A' ' 43' ' ' LEU . 1.4 mm -125.91 126.7 70.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.579 ' O ' HG23 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -134.11 126.05 18.36 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.989 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.463 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 18.3 Cg_endo -75.04 -173.42 12.32 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 121.005 -2.498 . . . . 0.0 111.005 0.015 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.75 -81.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.731 ' HA ' HD23 ' A' ' 131' ' ' LEU . 22.0 mt-10 -143.33 64.23 1.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -162.68 104.6 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.326 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.531 ' HG ' HD22 ' A' ' 131' ' ' LEU . 32.1 mt -102.99 135.5 44.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.319 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.497 ' CE1' ' HB3' ' A' ' 134' ' ' HIS . 1.6 m-85 -130.26 93.19 3.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.584 ' CB ' HG21 ' A' ' 90' ' ' VAL . 56.6 m-85 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.42 ' HE2' ' CG1' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -115.09 143.15 45.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.502 HG21 HD22 ' A' ' 27' ' ' LEU . 14.0 t -100.67 143.88 30.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.398 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.57 HD12 ' N ' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -117.24 120.32 37.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.579 HG23 ' O ' ' A' ' 22' ' ' SER . 12.0 mt -90.68 147.63 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.9 t -120.52 131.97 71.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.848 ' HB2' HG22 ' A' ' 78' ' ' ILE . 18.6 mt -121.35 110.6 16.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.402 ' HB ' ' HB2' ' A' ' 20' ' ' HIS . 2.7 m -101.17 108.49 20.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.399 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.415 ' OD1' HG21 ' A' ' 51' ' ' VAL . 48.8 t30 -75.89 97.73 4.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.564 HG11 ' NE2' ' A' ' 20' ' ' HIS . 27.1 m -69.11 -43.67 81.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.535 HG23 ' HA ' ' A' ' 18' ' ' LEU . 7.5 p -49.02 163.11 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.405 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.25 14.95 29.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.416 ' HB2' ' CD ' ' A' ' 102' ' ' GLU . 77.6 m-20 -130.3 161.29 31.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.7 mt -61.52 145.62 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.643 HG11 ' HB2' ' A' ' 19' ' ' LEU . 80.2 t -135.16 118.12 23.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.785 ' HB3' ' CE2' ' A' ' 117' ' ' PHE . . . -83.65 115.91 22.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.667 ' CE1' HD13 ' A' ' 78' ' ' ILE . 33.4 p90 -111.11 153.52 25.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.507 ' HD2' ' CE2' ' A' ' 118' ' ' TRP . 9.8 mttt -144.3 138.27 27.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 1.014 HG21 HG21 ' A' ' 80' ' ' ILE . 98.7 t -105.56 130.56 56.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.443 ' NH1' ' SD ' ' A' ' 99' ' ' MET . 4.4 mtt180 -132.43 172.5 12.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.4 t -168.85 161.4 10.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.401 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.4 p -72.53 -9.23 58.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.39 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.652 ' HB1' ' HD3' ' A' ' 62' ' ' LYS . . . -149.48 74.42 9.67 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -18.56 18.75 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -88.25 11.79 15.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.312 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.652 ' HD3' ' HB1' ' A' ' 59' ' ' ALA . 4.7 mtpp -123.49 -43.1 2.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -102.74 130.61 49.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -84.87 102.08 12.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.282 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.457 ' O ' ' CG2' ' A' ' 65' ' ' VAL . 0.7 OUTLIER -108.07 118.93 56.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.519 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.4 OUTLIER -158.71 133.37 5.43 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.659 ' HD2' HD13 ' A' ' 80' ' ' ILE . 18.6 Cg_endo -74.93 146.11 85.77 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 120.995 -2.502 . . . . 0.0 111.056 -0.097 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.452 ' CB ' HG23 ' A' ' 65' ' ' VAL . 6.2 p -111.83 -7.8 14.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.993 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -147.16 98.53 3.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.107 . . . . 0.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.55 -171.02 0.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.005 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.0 t -130.43 170.83 13.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.41 1.069 . . . . 0.0 110.003 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.608 ' HB3' HD21 ' A' ' 19' ' ' LEU . 53.5 t -134.67 115.15 13.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 108.279 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -53.8 160.38 2.15 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.406 ' HB3' ' N ' ' A' ' 49' ' ' ASN . 18.5 Cg_endo -74.94 124.94 9.02 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.512 1.796 . . . . 0.0 111.052 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.01 29.21 26.37 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.477 1.111 . . . . 0.0 110.981 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -142.1 153.89 44.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 109.276 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.419 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 2.7 p -114.48 138.87 50.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.001 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.848 HG22 ' HB2' ' A' ' 43' ' ' LEU . 1.0 OUTLIER -104.86 171.11 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.448 ' O ' HD13 ' A' ' 80' ' ' ILE . 7.0 m-20 -131.18 124.08 29.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 1.014 HG21 HG21 ' A' ' 55' ' ' VAL . 5.0 mm -118.67 111.43 33.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.468 HD12 HD13 ' A' ' 40' ' ' LEU . 2.0 mp -82.4 145.53 8.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.534 HG11 ' CZ ' ' A' ' 96' ' ' PHE . 80.3 t -139.45 97.9 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.3 t -118.33 130.6 24.66 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.024 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 170.01 21.35 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.495 1.787 . . . . 0.0 111.02 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.592 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.419 ' OG1' ' N ' ' A' ' 90' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.584 HG21 ' CB ' ' A' ' 29' ' ' PHE . 36.0 t -67.18 122.01 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.15 -162.82 0.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.035 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -119.68 -41.8 2.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.352 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -69.11 -14.79 63.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 18.9 p-10 -63.85 131.5 47.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 96' ' ' PHE . 4.7 tpp180 -135.32 143.11 45.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 110.298 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.534 ' CZ ' HG11 ' A' ' 82' ' ' VAL . 43.9 m-85 -110.99 151.69 27.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 0.0 111.047 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.759 HD11 ' HB3' ' A' ' 128' ' ' GLU . 33.1 tp -131.41 145.1 51.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.729 ' CD1' HD12 ' A' ' 131' ' ' LEU . 3.1 mt -134.71 123.59 42.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.34 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.443 ' SD ' ' NH1' ' A' ' 56' ' ' ARG . 15.2 mtm -98.47 156.01 16.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 110.965 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -162.42 117.82 1.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.81 ' HB1' HG21 ' A' ' 121' ' ' VAL . . . -135.94 133.44 37.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.468 ' OE2' ' CG2' ' A' ' 51' ' ' VAL . 0.8 OUTLIER -71.6 127.1 31.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.318 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.56 ' HA ' ' CE1' ' A' ' 117' ' ' PHE . 24.8 mtp -87.91 171.88 10.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 111.048 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 103' ' ' MET . 2.8 mt-10 -60.99 -140.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -80.36 -88.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 23.4 m -99.21 105.17 17.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 109.968 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.63 128.51 33.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.989 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -59.86 -171.86 0.57 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.577 1.173 . . . . 0.0 110.999 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 75.3 p -142.1 53.31 1.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 0.741 . . . . 0.0 110.41 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.456 ' O ' HD12 ' A' ' 114' ' ' LEU . . . -111.46 -172.4 19.37 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.458 1.099 . . . . 0.0 110.956 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -14.45 21.24 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -92.52 -72.72 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 112' ' ' ALA . 3.8 mm-40 -38.11 -45.86 0.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.327 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.456 HD12 ' O ' ' A' ' 110' ' ' GLY . 95.7 mt -59.83 -65.69 0.64 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.15 -29.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.002 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.423 ' N ' ' C ' ' A' ' 114' ' ' LEU . 3.0 mm100 -80.14 -53.15 6.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.785 ' CE2' ' HB3' ' A' ' 52' ' ' ALA . 19.7 t80 -57.45 -36.73 71.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 0.0 111.001 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . 0.6 ' HZ3' HG22 ' A' ' 126' ' ' VAL . 52.0 m95 -74.3 -9.35 58.51 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.76 -27.29 14.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.403 ' CG ' ' N ' ' A' ' 121' ' ' VAL . 0.4 OUTLIER -91.16 -42.07 10.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.81 HG21 ' HB1' ' A' ' 101' ' ' ALA . 8.3 p -69.21 122.28 84.85 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.477 ' HG2' ' CG ' ' A' ' 125' ' ' LYS . 18.2 Cg_endo -74.98 145.48 31.57 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.489 1.784 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.74 -25.62 4.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -68.13 -28.13 67.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.477 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 34.4 mmtt -92.65 -19.75 21.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.6 HG22 ' HZ3' ' A' ' 118' ' ' TRP . 50.5 t -75.11 111.33 11.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.349 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . 0.423 ' SD ' ' HD2' ' A' ' 17' ' ' PRO . 33.6 ttp -87.37 113.84 23.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.968 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.759 ' HB3' HD11 ' A' ' 97' ' ' LEU . 19.0 mt-10 -102.16 133.71 46.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.324 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . 0.512 ' HD2' HG21 ' A' ' 21' ' ' ILE . 32.2 t60 -129.39 112.03 13.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.647 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.48 ' HG3' HD13 ' A' ' 97' ' ' LEU . 2.6 mtm180 -88.75 131.71 34.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.303 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.731 HD23 ' HA ' ' A' ' 25' ' ' GLU . 0.3 OUTLIER -103.59 163.11 12.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.5 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -123.4 157.26 33.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.328 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 34.2 m -108.91 125.05 51.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 108.319 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . 0.497 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.597 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.7 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.629 HG22 ' HE3' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -130.75 145.4 35.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.444 1.09 . . . . 0.0 109.317 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.685 ' CG ' ' CE1' ' A' ' 129' ' ' HIS . 24.1 t80 -74.12 96.17 2.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.629 ' HE3' HG22 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -58.84 96.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.467 ' H ' ' CD2' ' A' ' 20' ' ' HIS . . . -87.88 154.69 25.9 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.507 1.129 . . . . 0.0 111.027 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.451 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.3 Cg_endo -74.98 -20.14 17.21 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.492 1.785 . . . . 0.0 111.02 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.597 ' HA ' HG23 ' A' ' 47' ' ' THR . 5.4 mt -116.84 -76.06 0.57 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.718 HD21 ' HB3' ' A' ' 72' ' ' CYS . 0.0 OUTLIER -113.11 134.59 54.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.612 ' CE1' ' HG3' ' A' ' 15' ' ' LYS . 16.8 m170 -80.08 155.98 27.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.617 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.68 HD13 ' CD2' ' A' ' 43' ' ' LEU . 1.6 mm -127.44 129.66 70.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.63 ' O ' HG23 ' A' ' 41' ' ' ILE . 2.4 t -140.03 129.18 13.49 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.01 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.447 ' C ' ' HA ' ' A' ' 22' ' ' SER . 18.3 Cg_endo -74.99 -178.24 22.89 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.022 0.046 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.65 -88.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.643 ' HA ' HD23 ' A' ' 131' ' ' LEU . 16.2 mt-10 -135.5 63.36 1.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 23' ' ' PRO . 1.9 pt-20 -163.08 103.17 0.99 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.324 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.55 HD22 ' OG1' ' A' ' 39' ' ' THR . 10.1 mt -101.17 125.33 47.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' A' ' 28' ' ' TYR . 20.5 m-85 -104.33 91.32 3.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.582 ' CD2' HG21 ' A' ' 90' ' ' VAL . 38.8 m-85 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.2 mttt . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.41 ' HE2' ' CG1' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -111.72 145.89 38.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.55 ' OG1' HD22 ' A' ' 27' ' ' LEU . 13.2 t -109.98 138.73 45.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.406 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.563 HD12 ' N ' ' A' ' 41' ' ' ILE . 0.7 OUTLIER -114.62 118.37 33.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.297 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.63 HG23 ' O ' ' A' ' 22' ' ' SER . 48.8 mt -91.84 147.07 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.2 t -121.13 133.69 66.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.808 ' HB2' HG22 ' A' ' 78' ' ' ILE . 17.6 mt -120.03 110.57 16.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.41 ' HB ' ' HB2' ' A' ' 20' ' ' HIS . 1.0 OUTLIER -100.75 106.5 17.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.402 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -75.38 111.7 10.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.434 HG11 ' NE2' ' A' ' 20' ' ' HIS . 9.3 m -85.22 -38.9 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.597 HG23 ' HA ' ' A' ' 18' ' ' LEU . 1.4 p -51.56 155.81 1.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.385 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.03 28.28 3.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.619 ' O ' HG23 ' A' ' 51' ' ' VAL . 14.5 m-80 -148.64 136.55 20.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 49' ' ' ASN . 22.2 mt -39.39 145.86 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.946 HG22 ' HA ' ' A' ' 102' ' ' GLU . 63.5 t -137.87 130.92 41.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.831 ' HB2' ' SD ' ' A' ' 103' ' ' MET . . . -87.78 124.85 34.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.866 ' CE2' HD13 ' A' ' 78' ' ' ILE . 26.7 p90 -116.26 160.61 20.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.539 ' HD2' ' CD1' ' A' ' 118' ' ' TRP . 4.4 mttm -151.87 158.66 43.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.09 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.913 HG21 HG21 ' A' ' 80' ' ' ILE . 36.7 t -135.0 123.42 40.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.485 ' CD ' ' SD ' ' A' ' 99' ' ' MET . 0.0 OUTLIER -129.8 173.02 11.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.276 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.43 ' OG1' ' N ' ' A' ' 58' ' ' THR . 0.7 OUTLIER -164.94 171.95 13.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 110.413 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.43 ' N ' ' OG1' ' A' ' 57' ' ' THR . 21.7 p -81.52 5.06 19.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.372 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.841 ' HB1' ' HB2' ' A' ' 62' ' ' LYS . . . -149.19 76.84 9.27 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -15.67 20.57 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.548 1.815 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.431 ' O ' ' NE2' ' A' ' 85' ' ' HIS . 14.5 pt-20 -105.84 20.3 19.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 110.305 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.841 ' HB2' ' HB1' ' A' ' 59' ' ' ALA . 7.9 mtpt -125.09 -43.66 1.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.653 ' CE2' ' HB3' ' A' ' 59' ' ' ALA . 35.7 m-85 -109.56 137.75 46.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.9 106.93 18.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.635 HG11 ' HB ' ' A' ' 55' ' ' VAL . 50.5 t -101.48 122.02 53.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.483 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.0 OUTLIER -163.06 129.07 2.28 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.625 ' HD2' HD13 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -75.02 137.04 48.07 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 120.935 -2.527 . . . . 0.0 110.999 0.02 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.454 ' HB3' HG12 ' A' ' 65' ' ' VAL . 90.5 p -112.82 36.04 3.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.999 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 171.33 103.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.402 ' O ' HD11 ' A' ' 114' ' ' LEU . 0.3 OUTLIER 176.43 -160.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.054 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.581 ' HB3' HG22 ' A' ' 109' ' ' THR . 0.0 OUTLIER -138.67 162.64 34.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.968 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.718 ' HB3' HD21 ' A' ' 19' ' ' LEU . 42.2 t -123.8 115.55 21.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 108.261 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -51.13 160.59 0.85 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 134.77 18.18 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.539 1.81 . . . . 0.0 110.966 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.57 33.32 60.99 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.554 1.159 . . . . 0.0 110.993 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -136.21 -179.16 5.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.596 0.821 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.5 p -141.45 132.84 26.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.995 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.866 HD13 ' CE2' ' A' ' 53' ' ' PHE . 1.2 tt -105.1 169.67 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.448 ' OD2' ' CD1' ' A' ' 81' ' ' ILE . 1.8 p-10 -130.32 121.04 25.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.913 HG21 HG21 ' A' ' 55' ' ' VAL . 5.3 mm -115.87 104.26 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.448 ' CD1' ' OD2' ' A' ' 79' ' ' ASP . 2.2 mp -77.46 142.46 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.66 HG11 ' CZ ' ' A' ' 96' ' ' PHE . 54.2 t -139.93 104.6 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.339 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.6 t -124.2 132.16 24.27 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.985 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 85' ' ' HIS . 18.4 Cg_endo -74.98 107.39 2.47 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.475 1.776 . . . . 0.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.536 ' CD2' ' HA ' ' A' ' 62' ' ' LYS . 11.1 m-70 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.606 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.383 -0.229 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.617 HG12 ' HE1' ' A' ' 63' ' ' TYR . 2.2 m -118.84 0.53 7.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.0 m 44.72 -165.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.023 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -118.34 21.84 12.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -106.54 -26.27 11.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.485 ' OD2' ' CE2' ' A' ' 63' ' ' TYR . 24.5 t0 -70.98 152.96 43.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.67 151.83 44.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 110.292 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.66 ' CZ ' HG11 ' A' ' 82' ' ' VAL . 20.0 m-85 -117.21 153.84 32.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.999 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.622 HD23 ' HD2' ' A' ' 130' ' ' ARG . 2.9 tm? -135.38 136.85 41.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.803 ' CD1' HD12 ' A' ' 131' ' ' LEU . 4.2 mt -130.79 128.9 63.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.485 ' SD ' ' CD ' ' A' ' 56' ' ' ARG . 1.9 mtp -106.69 155.79 19.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.419 ' HB1' ' HB2' ' A' ' 19' ' ' LEU . . . -160.71 120.92 2.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.591 ' HB1' HG21 ' A' ' 121' ' ' VAL . . . -131.88 134.86 46.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.946 ' HA ' HG22 ' A' ' 51' ' ' VAL . 1.2 tt0 -68.47 116.11 8.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 110.327 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.831 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 11.3 mtp -88.29 172.17 9.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -61.18 -139.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -102.3 -42.78 5.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.251 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.76 156.56 17.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.007 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 20.1 p -179.25 162.48 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.971 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -114.68 -7.13 18.46 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.491 1.12 . . . . 0.0 110.962 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.825 ' HA ' HD21 ' A' ' 114' ' ' LEU . 69.6 p 46.16 29.69 0.85 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 0.766 . . . . 0.0 110.398 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 1.015 ' O ' HD23 ' A' ' 114' ' ' LEU . . . -78.14 -169.79 35.08 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.491 1.119 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -26.82 10.59 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.454 1.765 . . . . 0.0 111.016 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.487 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -92.73 -59.54 2.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.487 ' C ' ' O ' ' A' ' 112' ' ' ALA . 2.3 mm-40 -32.42 -38.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.343 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 1.015 HD23 ' O ' ' A' ' 110' ' ' GLY . 3.1 mm? -75.53 -70.91 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.06 -30.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.979 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 114' ' ' LEU . 4.0 mm100 -78.71 -51.92 9.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 110.283 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.874 ' O ' HG12 ' A' ' 121' ' ' VAL . 76.4 t80 -59.21 -31.03 68.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . 0.539 ' CD1' ' HD2' ' A' ' 54' ' ' LYS . 87.2 m95 -78.8 -12.42 60.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 108.005 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.15 -23.22 18.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -93.53 -42.73 9.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.31 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.874 HG12 ' O ' ' A' ' 117' ' ' PHE . 14.6 p -69.49 125.45 91.98 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.474 ' HG2' ' CG ' ' A' ' 125' ' ' LYS . 18.3 Cg_endo -74.99 151.09 39.13 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.477 1.777 . . . . 0.0 111.028 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.05 -18.76 5.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.267 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -77.29 -21.2 53.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.474 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 26.8 mmtt -103.07 -16.46 15.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.502 HG13 ' HZ3' ' A' ' 118' ' ' TRP . 54.9 t -79.54 113.79 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . 0.451 ' SD ' ' HD2' ' A' ' 17' ' ' PRO . 29.9 ttp -84.79 100.48 11.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.444 ' HB3' HD21 ' A' ' 97' ' ' LEU . 3.2 mt-10 -90.22 132.1 35.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 110.312 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . 0.685 ' CE1' ' CG ' ' A' ' 14' ' ' PHE . 72.6 t60 -131.33 111.86 12.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.596 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.622 ' HD2' HD23 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -85.66 141.88 29.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 110.285 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.803 HD12 ' CD1' ' A' ' 98' ' ' ILE . 0.3 OUTLIER -117.13 157.1 26.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.501 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 0.7 OUTLIER -128.22 156.39 43.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 14.6 t -88.83 150.13 23.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 108.282 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.613 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.1 m . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.511 HG22 ' CE ' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -125.43 143.17 39.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.753 ' CG ' ' CE1' ' A' ' 129' ' ' HIS . 20.3 t80 -73.43 96.01 2.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.961 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.617 ' HG3' ' CE1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -57.2 93.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 109.334 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.457 ' H ' ' CD2' ' A' ' 20' ' ' HIS . . . -84.74 155.49 30.57 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.436 1.085 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.411 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.2 Cg_endo -75.0 -18.96 18.3 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.472 1.775 . . . . 0.0 111.03 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.657 ' HA ' HG23 ' A' ' 47' ' ' THR . 2.7 mt -120.67 -76.43 0.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.743 HD21 ' HB3' ' A' ' 72' ' ' CYS . 0.0 OUTLIER -110.52 133.0 53.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.617 ' CE1' ' HG3' ' A' ' 15' ' ' LYS . 17.8 m170 -79.69 156.31 27.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.573 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.603 HD12 HG21 ' A' ' 98' ' ' ILE . 3.0 mm -127.43 127.68 69.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.242 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.451 ' HA ' ' C ' ' A' ' 23' ' ' PRO . 0.5 OUTLIER -138.48 128.61 15.0 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.973 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.451 ' C ' ' HA ' ' A' ' 22' ' ' SER . 18.4 Cg_endo -75.04 178.66 33.74 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 120.964 -2.515 . . . . 0.0 110.982 -0.026 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.98 -85.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.793 ' HA ' HD23 ' A' ' 131' ' ' LEU . 12.4 mt-10 -141.92 63.48 1.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 23' ' ' PRO . 0.3 OUTLIER -162.58 103.47 1.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.606 HD22 HG21 ' A' ' 39' ' ' THR . 13.5 mt -101.48 127.1 48.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.435 ' CD1' ' N ' ' A' ' 28' ' ' TYR . 16.4 m-85 -105.72 93.44 4.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.09 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.614 ' CD2' HG11 ' A' ' 90' ' ' VAL . 54.3 m-85 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.6 mtmm . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.754 ' HD2' HG23 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -115.48 145.36 42.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.606 HG21 HD22 ' A' ' 27' ' ' LEU . 10.2 t -107.16 146.72 30.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.379 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.555 HD12 ' N ' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -118.21 117.43 29.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.555 ' N ' HD12 ' A' ' 40' ' ' LEU . 6.4 mt -90.98 149.96 3.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 t -124.33 136.03 61.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.75 ' HB2' HG22 ' A' ' 78' ' ' ILE . 8.4 mt -120.45 108.57 14.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.404 ' HB ' ' HB2' ' A' ' 20' ' ' HIS . 0.8 OUTLIER -93.99 112.11 23.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.409 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.437 ' CG ' ' HA ' ' A' ' 74' ' ' PRO . 43.5 t-20 -79.76 108.93 13.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.513 HG22 ' O ' ' A' ' 18' ' ' LEU . 13.6 m -86.17 -39.57 13.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.552 1.158 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.657 HG23 ' HA ' ' A' ' 18' ' ' LEU . 1.7 p -51.26 158.91 0.73 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.424 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -97.57 25.89 5.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.537 ' O ' HG23 ' A' ' 51' ' ' VAL . 6.8 m-80 -148.76 138.13 21.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.412 ' C ' ' O ' ' A' ' 49' ' ' ASN . 10.3 mt -39.37 149.25 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.757 HG22 ' HA ' ' A' ' 102' ' ' GLU . 76.4 t -137.75 128.03 36.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.663 ' HB3' ' CE2' ' A' ' 117' ' ' PHE . . . -90.54 126.37 35.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.601 ' CE1' HD13 ' A' ' 78' ' ' ILE . 47.9 p90 -121.45 162.06 21.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.986 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.537 ' HE3' ' CD1' ' A' ' 118' ' ' TRP . 12.9 mttm -150.5 149.93 30.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.956 HG21 HG21 ' A' ' 80' ' ' ILE . 79.0 t -113.89 115.31 49.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 109.253 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -122.7 136.87 55.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.328 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.464 HG23 ' H ' ' A' ' 59' ' ' ALA . 4.9 t -134.04 169.51 17.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.402 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.1 p -88.5 22.42 2.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.429 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.793 ' HB1' ' HD3' ' A' ' 62' ' ' LYS . . . -174.86 73.33 0.3 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -17.84 19.35 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.509 1.794 . . . . 0.0 111.025 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -92.37 21.27 5.39 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.564 1.165 . . . . 0.0 110.29 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.793 ' HD3' ' HB1' ' A' ' 59' ' ' ALA . 10.2 mtpt -136.09 -46.43 0.64 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.575 ' CE2' ' HB3' ' A' ' 59' ' ' ALA . 30.7 m-85 -102.25 133.84 46.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.8 112.67 24.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.495 ' O ' ' CG2' ' A' ' 65' ' ' VAL . 0.6 OUTLIER -116.53 116.12 51.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.439 ' HG2' ' HA ' ' A' ' 67' ' ' PRO . 0.0 OUTLIER -151.95 127.17 4.8 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.691 ' O ' HG23 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -75.0 155.65 99.96 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 121.011 -2.495 . . . . 0.0 111.041 -0.002 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.447 ' CB ' ' CG2' ' A' ' 65' ' ' VAL . 26.1 p -113.37 -18.57 12.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.127 . . . . 0.0 109.981 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -143.58 99.65 3.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.55 ' HB2' ' CZ ' ' A' ' 53' ' ' PHE . 69.6 m -161.99 -177.66 5.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 110.031 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.71 158.26 33.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.964 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.743 ' HB3' HD21 ' A' ' 19' ' ' LEU . 42.6 t -123.31 118.09 26.75 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.492 1.12 . . . . 0.0 108.275 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -55.47 161.25 3.08 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.437 ' HA ' ' CG ' ' A' ' 45' ' ' ASN . 18.4 Cg_endo -74.93 133.94 17.33 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.486 1.782 . . . . 0.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.1 32.2 56.59 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -140.39 177.83 7.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 1.8 p -138.83 137.29 36.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.165 . . . . 0.0 109.977 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.75 HG22 ' HB2' ' A' ' 43' ' ' LEU . 1.1 tt -105.06 168.89 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.425 1.078 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.438 ' OD2' ' CD1' ' A' ' 81' ' ' ILE . 1.4 p-10 -127.25 123.19 35.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.956 HG21 HG21 ' A' ' 55' ' ' VAL . 6.3 mm -118.44 105.85 18.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.358 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.754 HG23 ' HD2' ' A' ' 38' ' ' LYS . 2.2 mp -79.06 141.77 14.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.251 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.529 ' CG1' ' CZ ' ' A' ' 96' ' ' PHE . 93.0 t -136.82 98.86 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.339 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -111.53 120.19 43.22 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.006 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 162.88 36.49 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.509 1.794 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.552 -179.988 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.507 ' OG1' ' N ' ' A' ' 90' ' ' VAL . 2.1 t . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.746 HG23 ' OD2' ' A' ' 94' ' ' ASP . 2.5 p -75.52 123.09 30.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.256 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.448 ' O ' ' HB2' ' A' ' 92' ' ' ALA . 52.4 m -66.0 -86.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 110.038 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.448 ' HB2' ' O ' ' A' ' 91' ' ' SER . . . 178.4 -39.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.251 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -82.18 -8.57 59.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.746 ' OD2' HG23 ' A' ' 90' ' ' VAL . 1.6 m-20 -54.51 141.09 32.4 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 5.0 tpp180 -130.67 137.84 49.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.529 ' CZ ' ' CG1' ' A' ' 82' ' ' VAL . 18.5 m-85 -114.85 105.05 12.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.693 HD11 ' HB3' ' A' ' 128' ' ' GLU . 51.1 tp -83.98 148.2 27.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.712 ' CD1' HD12 ' A' ' 131' ' ' LEU . 2.8 mt -137.63 115.83 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.422 ' O ' ' HA ' ' A' ' 53' ' ' PHE . 15.2 mtp -88.19 152.51 21.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -161.29 117.69 2.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.799 ' HB1' HG21 ' A' ' 121' ' ' VAL . . . -133.09 135.35 45.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.757 ' HA ' HG22 ' A' ' 51' ' ' VAL . 0.9 OUTLIER -70.18 124.37 23.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.564 ' HG2' ' CE2' ' A' ' 117' ' ' PHE . 0.0 OUTLIER -90.07 172.14 9.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.09 . . . . 0.0 111.018 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -72.08 -143.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.26 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -70.72 -162.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.1 m -53.14 104.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.984 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.2 m -127.18 154.72 44.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.01 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -76.94 140.08 24.39 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 76.9 p -94.65 31.84 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.434 0.726 . . . . 0.0 110.39 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -74.84 -178.07 40.34 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.457 1.098 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -14.28 21.17 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.453 1.765 . . . . 0.0 111.015 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -90.43 -72.98 0.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 112' ' ' ALA . 2.5 mm-40 -36.73 -46.38 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.282 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.406 ' C ' ' N ' ' A' ' 116' ' ' GLN . 70.6 mt -60.59 -64.04 1.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -43.79 -26.42 0.25 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 109.963 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.406 ' N ' ' C ' ' A' ' 114' ' ' LEU . 1.1 tt0 -81.39 -54.24 5.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.813 ' O ' HG12 ' A' ' 121' ' ' VAL . 19.0 t80 -56.88 -32.74 66.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 111.011 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . 0.537 ' CD1' ' HE3' ' A' ' 54' ' ' LYS . 85.4 m95 -76.98 -12.16 59.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 108.002 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.45 -26.7 15.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.409 ' CG ' ' N ' ' A' ' 121' ' ' VAL . 0.4 OUTLIER -91.52 -42.64 10.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.302 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.813 HG12 ' O ' ' A' ' 117' ' ' PHE . 9.1 p -69.36 121.56 82.53 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 109.342 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.499 ' HG2' ' CG ' ' A' ' 125' ' ' LYS . 18.3 Cg_endo -75.0 155.73 42.93 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.522 1.801 . . . . 0.0 111.023 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.89 -28.92 66.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 110.321 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -66.09 -30.02 70.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.265 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.499 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 36.6 mmtt -90.39 -19.81 23.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 122' ' ' PRO . 50.2 t -75.01 123.38 30.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . 0.411 ' SD ' ' HD2' ' A' ' 17' ' ' PRO . 37.7 ttp -93.59 118.15 31.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.693 ' HB3' HD11 ' A' ' 97' ' ' LEU . 15.5 mt-10 -104.89 126.89 52.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.276 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . 0.753 ' CE1' ' CG ' ' A' ' 14' ' ' PHE . 41.4 t60 -126.13 112.19 15.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.61 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.415 ' HG3' HD13 ' A' ' 97' ' ' LEU . 7.9 mtp180 -87.53 127.83 35.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.254 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.793 HD23 ' HA ' ' A' ' 25' ' ' GLU . 0.4 OUTLIER -104.45 149.96 24.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.443 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -125.43 153.51 43.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 110.288 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 19.8 p -84.44 161.41 20.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 108.326 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.593 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.2 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.572 HG22 ' HE3' ' A' ' 15' ' ' LYS . 0.8 OUTLIER -124.8 146.86 29.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.25 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.704 ' CG ' ' CE1' ' A' ' 129' ' ' HIS . 23.6 t80 -74.2 96.64 2.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.961 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.599 ' HG3' ' CE1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -58.67 95.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.476 ' H ' ' CD2' ' A' ' 20' ' ' HIS . . . -88.91 152.56 23.04 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.44 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.3 Cg_endo -75.02 -18.31 18.79 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.496 1.788 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.499 ' HA ' ' CG2' ' A' ' 47' ' ' THR . 10.8 mt -116.64 -76.34 0.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.784 HD21 ' HB3' ' A' ' 72' ' ' CYS . 0.0 OUTLIER -114.61 134.64 54.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.687 ' NE2' HG11 ' A' ' 46' ' ' VAL . 13.1 m170 -79.82 156.28 27.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.6 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.637 HG21 ' HD2' ' A' ' 129' ' ' HIS . 1.4 mm -128.09 123.7 61.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.445 ' HA ' ' HA ' ' A' ' 23' ' ' PRO . 0.1 OUTLIER -133.14 126.98 19.81 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.005 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.445 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 18.2 Cg_endo -75.03 -179.85 28.15 Favored 'Cis proline' 0 C--N 1.359 1.118 0 C-N-CA 121.005 -2.498 . . . . 0.0 110.979 0.008 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.55 -85.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.636 ' HA ' HD23 ' A' ' 131' ' ' LEU . 0.0 OUTLIER -143.35 59.54 1.4 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -162.17 105.03 1.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.326 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.631 ' HG ' HD22 ' A' ' 131' ' ' LEU . 36.6 mt -99.66 142.74 30.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.548 ' CD1' ' HB3' ' A' ' 134' ' ' HIS . 1.5 m-85 -130.32 91.78 3.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.622 ' CD2' HG11 ' A' ' 90' ' ' VAL . 22.2 m-85 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 110.978 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.29 -0.634 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.559 ' HD3' HG23 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -123.64 141.51 51.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.514 HG22 ' CE1' ' A' ' 29' ' ' PHE . 14.5 t -103.81 132.81 49.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.374 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.656 HD12 ' N ' ' A' ' 41' ' ' ILE . 2.8 tp -112.89 120.96 43.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.338 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.656 ' N ' HD12 ' A' ' 40' ' ' LEU . 16.0 mt -89.84 148.59 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.7 t -116.09 133.74 61.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.877 ' HB2' HG22 ' A' ' 78' ' ' ILE . 29.9 mt -122.89 107.5 11.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.81 105.1 16.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.426 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.669 ' OD1' HD22 ' A' ' 19' ' ' LEU . 10.3 t-20 -69.95 110.7 5.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.687 HG11 ' NE2' ' A' ' 20' ' ' HIS . 13.1 m -99.93 36.72 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.499 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 1.6 p -119.49 165.9 13.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.408 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.34 20.38 11.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -154.15 156.13 36.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.357 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.512 HD12 ' OG ' ' A' ' 107' ' ' SER . 45.2 mt -56.09 148.58 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.931 HG22 ' HA ' ' A' ' 102' ' ' GLU . 54.9 t -136.27 121.82 28.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.53 ' HB3' ' CE2' ' A' ' 117' ' ' PHE . . . -78.85 122.0 25.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.875 ' CE2' HD13 ' A' ' 78' ' ' ILE . 31.8 p90 -113.46 150.56 32.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.584 ' HG3' ' CZ2' ' A' ' 118' ' ' TRP . 7.3 mttt -144.2 126.88 16.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.897 HG21 HG21 ' A' ' 80' ' ' ILE . 48.8 t -105.63 120.16 55.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.493 ' CD ' ' SD ' ' A' ' 99' ' ' MET . 0.0 OUTLIER -124.52 172.58 9.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.329 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.512 HG23 ' H ' ' A' ' 59' ' ' ALA . 5.0 t -159.83 171.27 19.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.42 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.9 p -87.38 20.56 2.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.392 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.785 ' HB1' ' HD3' ' A' ' 62' ' ' LYS . . . -168.91 74.1 0.76 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -16.84 19.94 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.525 1.802 . . . . 0.0 110.966 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -95.9 28.25 3.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.311 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.785 ' HD3' ' HB1' ' A' ' 59' ' ' ALA . 2.2 mtpm? -141.83 -48.87 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.403 ' CE2' ' CG ' ' A' ' 94' ' ' ASP . 40.1 m-85 -101.85 125.93 48.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.957 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.49 105.05 17.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.517 HG11 ' CG1' ' A' ' 55' ' ' VAL . 9.6 t -100.85 128.47 52.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.503 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.3 OUTLIER -162.53 131.73 3.11 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.663 ' HD2' HD13 ' A' ' 80' ' ' ILE . 18.2 Cg_endo -75.0 132.91 29.16 Favored 'Cis proline' 0 C--N 1.361 1.185 0 C-N-CA 120.941 -2.525 . . . . 0.0 111.006 -0.075 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.423 ' N ' ' HA ' ' A' ' 66' ' ' LYS . 82.0 p -113.02 41.11 2.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.03 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.8 t30 169.01 78.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.46 -165.44 1.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.01 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 86.2 p -137.52 151.64 48.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.02 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.784 ' HB3' HD21 ' A' ' 19' ' ' LEU . 50.9 t -111.59 121.66 45.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 108.312 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.78 162.19 17.79 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.258 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 145.58 31.74 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.519 1.799 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 65.69 30.43 77.29 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.439 1.087 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -141.43 -179.72 6.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 0.744 . . . . 0.0 109.331 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.422 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 2.3 p -143.15 136.47 28.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.016 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.877 HG22 ' HB2' ' A' ' 43' ' ' LEU . 1.3 tt -105.29 171.38 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.645 ' HB2' HD11 ' A' ' 40' ' ' LEU . 5.3 p-10 -131.92 119.25 20.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.897 HG21 HG21 ' A' ' 55' ' ' VAL . 7.3 mm -110.83 97.04 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.559 HG23 ' HD3' ' A' ' 38' ' ' LYS . 3.2 mp -71.35 140.58 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.613 HG11 ' CZ ' ' A' ' 96' ' ' PHE . 53.4 t -133.87 121.18 38.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.426 ' HB2' ' CB ' ' A' ' 38' ' ' LYS . 10.3 t -146.23 139.37 14.43 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.049 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 171.58 18.04 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.437 1.756 . . . . 0.0 110.979 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.611 179.99 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.622 HG11 ' CD2' ' A' ' 29' ' ' PHE . 2.6 p -95.15 114.12 31.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.8 m -79.64 -175.56 4.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.964 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -91.95 -22.09 20.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.355 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -80.9 -32.95 34.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.316 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.403 ' CG ' ' CE2' ' A' ' 63' ' ' TYR . 4.2 t0 -48.15 108.05 0.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.01 149.75 23.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.271 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.613 ' CZ ' HG11 ' A' ' 82' ' ' VAL . 9.4 m-85 -113.5 151.01 32.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.456 1.097 . . . . 0.0 111.033 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.733 HD23 ' HD2' ' A' ' 130' ' ' ARG . 3.3 tm? -131.96 138.87 48.48 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.801 ' CD1' HD12 ' A' ' 131' ' ' LEU . 3.4 mt -134.73 126.96 48.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.493 ' SD ' ' CD ' ' A' ' 56' ' ' ARG . 11.9 mtp -104.89 155.65 18.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.502 ' HB1' ' HB2' ' A' ' 19' ' ' LEU . . . -161.29 118.95 2.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.557 ' HB1' HG21 ' A' ' 121' ' ' VAL . . . -132.09 131.93 42.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.931 ' HA ' HG22 ' A' ' 51' ' ' VAL . 1.2 tt0 -69.27 114.56 7.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.587 ' HG2' ' CE1' ' A' ' 117' ' ' PHE . 0.0 OUTLIER -86.66 172.31 10.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 111.007 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -71.14 -143.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -90.85 -76.12 0.45 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.343 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.72 104.13 1.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.16 . . . . 0.0 110.02 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.512 ' OG ' HD12 ' A' ' 50' ' ' ILE . 28.9 p -118.19 125.29 49.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.024 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 109' ' ' THR . . . -86.47 -9.44 75.64 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.455 1.097 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 108' ' ' GLY . 30.4 p 36.44 58.45 1.03 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 0.787 . . . . 0.0 110.407 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -123.05 -161.88 11.33 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -47.68 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.456 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -74.85 -63.63 1.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 112' ' ' ALA . 0.3 OUTLIER -34.78 -54.26 0.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 110.287 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 117' ' ' PHE . 77.7 mt -59.66 -62.05 2.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.508 ' O ' ' CG ' ' A' ' 119' ' ' LYS . 0.6 OUTLIER -46.77 -35.36 6.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.967 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.519 ' HA ' ' CG ' ' A' ' 119' ' ' LYS . 2.3 mt-30 -72.21 -32.9 67.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.633 ' O ' HG12 ' A' ' 121' ' ' VAL . 18.1 t80 -85.21 -25.88 27.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . 0.608 ' HA ' HG12 ' A' ' 121' ' ' VAL . 59.9 m95 -84.81 -23.0 29.3 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.519 ' CG ' ' HA ' ' A' ' 116' ' ' GLN . 0.0 OUTLIER -88.52 -26.5 21.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.408 ' CG ' ' HD2' ' A' ' 119' ' ' LYS . 2.1 mt-10 -88.52 -37.39 15.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.633 HG12 ' O ' ' A' ' 117' ' ' PHE . 9.1 p -69.28 124.8 91.21 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.477 ' HG2' ' CG ' ' A' ' 125' ' ' LYS . 18.3 Cg_endo -75.01 153.31 41.65 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.453 1.765 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -16.97 10.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 110.284 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -79.16 -21.09 46.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.477 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 20.4 mmtt -103.94 -12.4 16.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.601 HG12 ' HG3' ' A' ' 128' ' ' GLU . 25.4 t -79.11 104.95 7.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . 0.475 ' HB2' HD12 ' A' ' 18' ' ' LEU . 27.5 ttp -80.21 102.0 9.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.651 ' HB3' HD21 ' A' ' 97' ' ' LEU . 51.8 mt-10 -100.82 127.42 47.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . 0.704 ' CE1' ' CG ' ' A' ' 14' ' ' PHE . 75.9 t60 -128.23 111.64 13.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.649 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.733 ' HD2' HD23 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -82.05 141.1 33.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.31 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.801 HD12 ' CD1' ' A' ' 98' ' ' ILE . 0.3 OUTLIER -116.17 147.11 41.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -96.84 162.87 13.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.36 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 96.7 m -119.0 114.71 22.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 108.259 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . 0.548 ' HB3' ' CD1' ' A' ' 28' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.617 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.4 m . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.599 HG22 ' HE3' ' A' ' 15' ' ' LYS . 0.6 OUTLIER -130.25 143.88 39.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.268 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -73.82 96.47 2.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 0.0 111.02 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.61 ' HG3' ' CE1' ' A' ' 20' ' ' HIS . 0.1 OUTLIER -57.54 100.21 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.471 ' H ' ' CD2' ' A' ' 20' ' ' HIS . . . -89.75 154.57 24.05 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.41 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.3 Cg_endo -75.0 -20.91 16.39 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.489 1.784 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.558 ' HA ' HG23 ' A' ' 47' ' ' THR . 8.4 mt -117.87 -75.63 0.58 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.718 HD22 ' OD1' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -111.21 134.7 52.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.61 ' CE1' ' HG3' ' A' ' 15' ' ' LYS . 10.9 m170 -79.75 157.39 27.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.587 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.564 HD13 ' CD2' ' A' ' 43' ' ' LEU . 1.4 mm -126.94 124.82 65.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.155 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.479 ' HA ' ' HA ' ' A' ' 23' ' ' PRO . 0.1 OUTLIER -133.05 125.25 18.95 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.988 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.479 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 18.2 Cg_endo -74.98 -165.29 4.06 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 121.019 -2.492 . . . . 0.0 110.989 -0.002 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.17 -89.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.5 ' O ' ' CG ' ' A' ' 132' ' ' ARG . 0.1 OUTLIER -136.62 63.72 1.57 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 110.337 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -162.72 104.71 1.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.299 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 1.004 ' HG ' HG21 ' A' ' 39' ' ' THR . 1.5 tp -98.41 120.48 38.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -111.97 104.94 13.24 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.508 ' CZ ' HD23 ' A' ' 27' ' ' LEU . 95.3 m-85 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 111.031 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.416 ' CD ' HG23 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -118.97 149.27 41.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 1.004 HG21 ' HG ' ' A' ' 27' ' ' LEU . 7.4 t -115.83 160.47 20.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.41 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.58 HD12 ' N ' ' A' ' 41' ' ' ILE . 0.4 OUTLIER -128.49 120.72 27.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.58 ' N ' HD12 ' A' ' 40' ' ' LEU . 51.1 mt -90.17 141.84 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.0 t -116.59 135.84 55.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.842 ' HB2' HG22 ' A' ' 78' ' ' ILE . 14.8 mt -124.37 107.58 11.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.413 ' HB ' ' HB2' ' A' ' 20' ' ' HIS . 1.3 m -97.11 106.53 18.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.387 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.718 ' OD1' HD22 ' A' ' 19' ' ' LEU . 19.0 t30 -73.89 97.74 2.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.496 HG11 ' NE2' ' A' ' 20' ' ' HIS . 16.3 m -70.45 -38.43 73.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.558 HG23 ' HA ' ' A' ' 18' ' ' LEU . 5.8 p -49.23 163.11 0.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 110.409 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.03 20.88 15.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.592 ' O ' HG23 ' A' ' 51' ' ' VAL . 9.9 m-80 -144.92 137.67 26.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.411 HD12 ' HB2' ' A' ' 107' ' ' SER . 95.4 mt -39.51 145.75 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.934 HG22 ' HA ' ' A' ' 102' ' ' GLU . 48.4 t -137.88 123.63 25.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.59 126.82 33.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.712 ' CE2' HD13 ' A' ' 78' ' ' ILE . 52.1 p90 -118.0 165.72 13.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 110.988 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.574 ' HG3' ' CZ2' ' A' ' 118' ' ' TRP . 31.3 mttt -154.05 130.48 10.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.649 HG21 HG21 ' A' ' 80' ' ' ILE . 89.8 t -109.15 116.04 51.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.507 ' CD ' ' SD ' ' A' ' 99' ' ' MET . 0.0 OUTLIER -127.92 173.12 10.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.27 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.503 HG23 ' H ' ' A' ' 59' ' ' ALA . 3.7 t -161.29 173.89 14.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.369 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.3 p -86.72 19.3 2.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.368 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.503 ' H ' HG23 ' A' ' 57' ' ' THR . . . -164.9 75.08 1.47 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -25.8 11.7 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.567 1.825 . . . . 0.0 111.056 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -91.54 32.99 1.03 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 110.335 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 85' ' ' HIS . 14.5 mtpt -142.83 -48.98 0.34 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.459 ' HE1' HG22 ' A' ' 90' ' ' VAL . 61.3 m-85 -104.19 123.65 47.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.7 mtm-85 -81.35 105.61 12.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.638 HG11 ' CG1' ' A' ' 55' ' ' VAL . 3.7 t -107.14 127.26 63.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.5 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.0 OUTLIER -163.99 131.22 2.48 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.717 ' HD2' HD13 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -74.99 141.27 71.28 Favored 'Cis proline' 0 C--N 1.359 1.111 0 C-N-CA 120.975 -2.51 . . . . 0.0 111.001 -0.057 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.423 ' HB3' ' O ' ' A' ' 65' ' ' VAL . 24.2 p -113.22 31.49 6.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.029 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 171.86 92.41 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.11 . . . . 0.0 109.269 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.03 -165.94 0.96 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.019 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.7 p -137.62 147.6 45.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.486 ' HB3' HD21 ' A' ' 19' ' ' LEU . 51.2 t -115.02 120.17 38.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 108.297 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -58.03 164.46 3.38 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.244 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.407 ' HA ' ' HB3' ' A' ' 45' ' ' ASN . 18.3 Cg_endo -74.97 140.38 25.45 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.568 1.825 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.65 28.2 72.47 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.45 1.094 . . . . 0.0 111.002 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -133.61 -178.39 4.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 2.9 p -142.16 139.52 32.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.974 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.842 HG22 ' HB2' ' A' ' 43' ' ' LEU . 0.5 OUTLIER -105.86 169.26 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -130.63 115.0 16.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.717 HD13 ' HD2' ' A' ' 67' ' ' PRO . 2.5 mm -114.65 110.34 31.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.416 HG23 ' CD ' ' A' ' 38' ' ' LYS . 2.4 mp -82.66 145.79 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.707 HG11 ' CZ ' ' A' ' 96' ' ' PHE . 54.5 t -138.57 97.5 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.7 t -117.42 128.28 26.11 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.582 1.176 . . . . 0.0 110.034 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 85' ' ' HIS . 18.4 Cg_endo -75.0 157.1 42.96 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.518 1.799 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.438 ' N ' ' O ' ' A' ' 62' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.594 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 71.6 p . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.426 -0.212 . . . . 0.0 110.426 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.459 HG22 ' HE1' ' A' ' 63' ' ' TYR . 3.4 t -103.13 -12.73 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.3 t 56.26 172.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.975 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -121.93 12.98 10.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -111.36 -30.81 7.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.293 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.406 ' OD2' ' CE2' ' A' ' 63' ' ' TYR . 14.1 t70 -51.41 161.83 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -149.22 149.63 31.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.707 ' CZ ' HG11 ' A' ' 82' ' ' VAL . 23.1 m-85 -109.56 154.37 22.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.157 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.714 HD11 ' HG3' ' A' ' 99' ' ' MET . 1.4 tm? -134.62 142.6 46.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.792 ' CD1' HD12 ' A' ' 131' ' ' LEU . 3.8 mt -136.87 125.9 36.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.268 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.714 ' HG3' HD11 ' A' ' 97' ' ' LEU . 6.6 mtp -106.87 154.84 20.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.545 ' HB1' ' HB2' ' A' ' 19' ' ' LEU . . . -162.01 118.57 2.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.743 ' HB2' HG23 ' A' ' 126' ' ' VAL . . . -129.83 131.1 46.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.934 ' HA ' HG22 ' A' ' 51' ' ' VAL . 0.9 OUTLIER -70.15 127.47 32.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.263 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.573 ' HG2' ' CE1' ' A' ' 117' ' ' PHE . 12.6 mtp -88.12 171.41 10.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -72.5 -143.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -80.77 -70.59 0.52 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.343 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.07 121.14 26.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 110.038 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.421 ' O ' HG23 ' A' ' 109' ' ' THR . 6.3 m -120.45 114.06 21.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.002 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 109' ' ' THR . . . -70.18 -18.19 74.65 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 108' ' ' GLY . 36.6 p 36.07 71.29 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 0.741 . . . . 0.0 110.391 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.7 ' O ' HD12 ' A' ' 114' ' ' LEU . . . -141.78 -171.18 12.78 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.503 1.127 . . . . 0.0 110.96 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -23.82 13.42 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.552 1.817 . . . . 0.0 111.018 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -92.14 -67.31 0.86 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -39.9 -45.82 1.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.269 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.7 HD12 ' O ' ' A' ' 110' ' ' GLY . 82.1 mt -62.77 -64.11 1.02 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.6 t -46.7 -33.0 3.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.984 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.525 ' HA ' ' CG ' ' A' ' 119' ' ' LYS . 1.3 mt-30 -80.54 -31.33 37.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 110.322 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.663 ' O ' HG12 ' A' ' 121' ' ' VAL . 87.1 t80 -84.66 -20.19 31.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . 0.907 ' CZ3' HG21 ' A' ' 126' ' ' VAL . 55.2 m95 -90.36 -25.82 20.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 107.999 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.525 ' CG ' ' HA ' ' A' ' 116' ' ' GLN . 0.0 OUTLIER -84.43 -22.39 30.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -93.39 -42.56 9.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.663 HG12 ' O ' ' A' ' 117' ' ' PHE . 9.8 p -69.82 119.39 71.02 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.6 ' O ' HG12 ' A' ' 126' ' ' VAL . 18.2 Cg_endo -75.04 167.92 25.95 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.444 1.76 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.554 ' HA ' HG12 ' A' ' 126' ' ' VAL . 0.0 OUTLIER -76.16 1.34 16.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -101.07 -13.84 18.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.515 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 29.3 mmtt -104.15 -26.96 12.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.907 HG21 ' CZ3' ' A' ' 118' ' ' TRP . 11.7 p -94.39 140.85 15.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . 0.451 ' HG2' ' N ' ' A' ' 128' ' ' GLU . 66.6 ttp -80.31 157.36 26.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.451 ' N ' ' HG2' ' A' ' 127' ' ' MET . 62.5 mt-10 -143.89 110.4 5.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . 0.471 ' HD2' HG21 ' A' ' 21' ' ' ILE . 70.7 t60 -121.77 116.15 23.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.61 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.673 ' HD2' HD23 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -88.35 138.24 31.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.309 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.792 HD22 HD13 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -110.09 145.93 36.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.5 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 3.4 ptt180 -113.57 142.95 45.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 110.315 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 25.4 p -88.34 135.01 33.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 108.297 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.607 -179.987 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.4 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.49 HG22 ' CE ' ' A' ' 15' ' ' LYS . 0.6 OUTLIER -129.12 141.15 47.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -73.58 96.39 2.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.586 ' HD3' ' CE1' ' A' ' 20' ' ' HIS . 9.2 mmtp -58.92 104.92 0.27 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.359 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.489 ' H ' ' CD2' ' A' ' 20' ' ' HIS . . . -95.35 155.71 21.44 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.442 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.3 Cg_endo -75.03 -17.97 19.04 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.542 1.812 . . . . 0.0 110.97 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.627 ' HA ' HG23 ' A' ' 47' ' ' THR . 3.8 mt -119.88 -75.13 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.747 HD22 ' OD1' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -110.02 127.56 54.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.586 ' CE1' ' HD3' ' A' ' 15' ' ' LYS . 9.9 m170 -79.48 124.64 28.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.606 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.904 HG21 ' CD2' ' A' ' 129' ' ' HIS . 1.4 mm -95.03 141.24 15.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.168 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.47 ' O ' HG23 ' A' ' 41' ' ' ILE . 1.2 t -149.07 130.26 7.17 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.085 . . . . 0.0 109.998 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.455 ' C ' ' HA ' ' A' ' 22' ' ' SER . 18.5 Cg_endo -74.99 -162.53 2.81 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 121.016 -2.493 . . . . 0.0 110.998 0.015 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.86 -93.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.419 ' HB2' ' CG ' ' A' ' 132' ' ' ARG . 0.7 OUTLIER -129.45 55.05 1.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.576 ' HB2' ' CD2' ' A' ' 134' ' ' HIS . 4.2 pt-20 -163.27 103.42 0.97 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.795 ' HG ' HD12 ' A' ' 131' ' ' LEU . 27.4 mt -97.78 135.25 39.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.457 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 11.0 m-85 -109.46 109.25 20.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.659 ' CG ' HG11 ' A' ' 90' ' ' VAL . 82.5 m-85 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.3 mttt . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.434 ' HG2' ' N ' ' A' ' 39' ' ' THR . 0.0 OUTLIER -119.12 145.84 45.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.26 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.575 ' OG1' HD22 ' A' ' 27' ' ' LEU . 8.9 t -109.15 158.9 17.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 110.369 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.506 ' CD1' ' C ' ' A' ' 80' ' ' ILE . 0.8 OUTLIER -132.29 116.66 17.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 109.305 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.919 HD13 HD11 ' A' ' 98' ' ' ILE . 77.0 mt -90.24 139.49 17.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.2 t -114.54 133.03 61.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.359 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.861 ' HB2' HG22 ' A' ' 78' ' ' ILE . 45.6 mt -116.8 101.91 8.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.417 ' C ' HD13 ' A' ' 19' ' ' LEU . 1.0 OUTLIER -93.83 104.35 16.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.385 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.747 ' OD1' HD22 ' A' ' 19' ' ' LEU . 25.8 t30 -75.9 106.23 7.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 18' ' ' LEU . 26.5 m -82.29 -41.54 18.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.627 HG23 ' HA ' ' A' ' 18' ' ' LEU . 2.0 p -46.03 155.46 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.431 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.3 tptt -94.55 28.41 2.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.246 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.571 ' O ' HG23 ' A' ' 51' ' ' VAL . 14.6 m-80 -151.5 134.84 16.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.43 ' CG1' ' HD3' ' A' ' 74' ' ' PRO . 59.1 mt -38.79 148.1 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.979 HG22 ' HA ' ' A' ' 102' ' ' GLU . 54.4 t -139.0 128.35 30.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.374 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.563 ' HB3' ' HE2' ' A' ' 117' ' ' PHE . . . -84.68 133.54 34.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.741 ' CE2' HD13 ' A' ' 78' ' ' ILE . 28.0 p90 -127.06 145.56 50.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 111.056 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.52 ' HD2' ' CE2' ' A' ' 118' ' ' TRP . 17.8 mttt -140.41 128.58 22.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.654 HG13 HG13 ' A' ' 98' ' ' ILE . 25.5 t -106.38 128.67 60.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.466 ' NE ' ' SD ' ' A' ' 99' ' ' MET . 0.0 OUTLIER -137.9 146.41 43.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 110.312 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.3 t -127.04 165.33 19.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.429 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 29.0 p -75.91 -0.36 21.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.344 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.804 ' HB1' ' HD3' ' A' ' 62' ' ' LYS . . . -153.32 75.28 6.57 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 0.23 9.15 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.517 1.798 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -106.22 10.61 31.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.266 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.804 ' HD3' ' HB1' ' A' ' 59' ' ' ALA . 10.5 mtpt -123.47 -47.4 1.98 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -101.55 145.33 29.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.978 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -101.6 101.2 11.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.3 t -98.05 125.14 51.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.259 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.5 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.4 OUTLIER -162.45 131.2 2.98 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.346 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.755 ' HD2' HD13 ' A' ' 80' ' ' ILE . 18.5 Cg_endo -74.97 134.83 37.69 Favored 'Cis proline' 0 C--N 1.359 1.124 0 C-N-CA 121.021 -2.491 . . . . 0.0 110.997 0.05 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.48 ' O ' ' CB ' ' A' ' 69' ' ' ASN . 87.0 p -112.78 50.18 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.018 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.48 ' CB ' ' O ' ' A' ' 68' ' ' SER . 2.1 m-20 156.61 95.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -176.72 -162.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.988 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 94.3 p -136.86 158.28 44.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.987 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 46.0 t -120.0 119.45 33.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 108.328 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -55.1 162.11 2.17 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.43 ' HD3' ' CG1' ' A' ' 50' ' ' ILE . 18.5 Cg_endo -75.01 139.49 24.32 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.466 1.772 . . . . 0.0 111.041 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.47 30.96 73.32 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -135.8 -178.63 5.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 0.745 . . . . 0.0 109.295 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.404 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 2.9 p -144.11 135.72 25.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.966 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.861 HG22 ' HB2' ' A' ' 43' ' ' LEU . 1.0 OUTLIER -104.74 171.46 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -131.59 117.19 18.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.36 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.755 HD13 ' HD2' ' A' ' 67' ' ' PRO . 3.4 mm -113.89 106.03 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.246 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.41 HD12 ' CD1' ' A' ' 40' ' ' LEU . 2.1 mp -78.65 146.63 7.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.676 HG11 ' CZ ' ' A' ' 96' ' ' PHE . 55.7 t -141.15 97.72 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.168 . . . . 0.0 109.266 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -111.4 125.74 29.91 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.162 . . . . 0.0 109.969 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 85' ' ' HIS . 18.4 Cg_endo -74.98 107.21 2.43 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.516 1.798 . . . . 0.0 111.04 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.418 ' N ' ' O ' ' A' ' 62' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.63 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.446 ' OG1' ' N ' ' A' ' 90' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.41 -0.219 . . . . 0.0 110.41 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.659 HG11 ' CG ' ' A' ' 29' ' ' PHE . 10.8 p -102.84 138.34 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.7 m -124.15 177.6 5.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 109.976 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -92.7 36.9 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -109.03 -30.37 8.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.27 170.85 8.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.53 157.95 43.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.349 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.676 ' CZ ' HG11 ' A' ' 82' ' ' VAL . 62.7 m-85 -114.26 152.41 31.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 111.023 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.765 HD21 ' HB3' ' A' ' 128' ' ' GLU . 3.4 tm? -133.24 136.93 45.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.919 HD11 HD13 ' A' ' 41' ' ' ILE . 3.2 mt -128.18 138.13 55.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.484 ' HE3' ' CZ3' ' A' ' 118' ' ' TRP . 13.0 mtp -112.58 153.74 27.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.522 ' HB1' ' HB2' ' A' ' 19' ' ' LEU . . . -161.52 119.57 2.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.652 ' HB1' HG21 ' A' ' 121' ' ' VAL . . . -134.98 131.23 36.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.979 ' HA ' HG22 ' A' ' 51' ' ' VAL . 1.6 tt0 -69.87 130.87 43.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.313 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.631 ' CG ' ' CE2' ' A' ' 117' ' ' PHE . 35.3 mtp -98.28 170.94 8.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 111.033 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -77.37 -143.13 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -55.09 -168.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.319 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.6 m -53.09 111.81 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.995 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 83.7 p -87.63 -178.21 6.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.107 . . . . 0.0 109.999 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -107.09 -13.88 20.25 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.473 1.108 . . . . 0.0 110.966 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 80.2 p 45.2 70.06 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.773 . . . . 0.0 110.402 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.418 ' O ' ' CG ' ' A' ' 114' ' ' LEU . . . -135.23 -168.83 11.72 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.544 1.152 . . . . 0.0 111.031 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -20.73 16.54 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.492 1.785 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -92.45 -70.95 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 112' ' ' ALA . 2.9 mm-40 -37.7 -45.63 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 110.295 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 117' ' ' PHE . 79.1 mt -61.12 -65.95 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.337 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.492 ' O ' ' CG ' ' A' ' 119' ' ' LYS . 0.2 OUTLIER -49.47 -28.29 5.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.957 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.521 ' HA ' ' CG ' ' A' ' 119' ' ' LYS . 2.2 mt-30 -82.51 -30.21 29.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.311 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.631 ' CE2' ' CG ' ' A' ' 103' ' ' MET . 29.7 t80 -86.65 -24.17 25.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 111.071 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . 0.583 ' HA ' HG12 ' A' ' 121' ' ' VAL . 54.5 m95 -87.65 -20.99 25.55 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.516 1.135 . . . . 0.0 108.022 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.521 ' CG ' ' HA ' ' A' ' 116' ' ' GLN . 0.0 OUTLIER -89.85 -26.52 20.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.463 ' CG ' ' HD2' ' A' ' 119' ' ' LYS . 2.6 mt-10 -88.71 -38.99 14.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.336 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.652 HG21 ' HB1' ' A' ' 101' ' ' ALA . 7.2 p -68.29 124.75 90.51 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.484 ' HG2' ' CG ' ' A' ' 125' ' ' LYS . 18.4 Cg_endo -74.93 144.24 30.29 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.485 1.782 . . . . 0.0 111.028 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.518 ' CD ' ' N ' ' A' ' 124' ' ' ASN . 0.0 OUTLIER -49.3 -19.89 0.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 110.278 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . 0.518 ' N ' ' CD ' ' A' ' 123' ' ' ARG . 2.5 t30 -73.88 -33.13 63.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.35 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.484 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 24.7 mmtt -93.73 0.19 56.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.25 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.494 HG13 ' HZ3' ' A' ' 118' ' ' TRP . 74.8 t -94.1 107.94 19.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . 0.442 ' SD ' ' HD2' ' A' ' 17' ' ' PRO . 39.9 ttp -83.65 113.03 20.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 111.016 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.765 ' HB3' HD21 ' A' ' 97' ' ' LEU . 16.5 mt-10 -106.81 127.69 53.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . 0.904 ' CD2' HG21 ' A' ' 21' ' ' ILE . 71.8 t60 -120.62 128.3 52.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.592 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.574 ' HD2' HD23 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -100.37 118.68 37.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.148 . . . . 0.0 110.306 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.795 HD12 ' HG ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -92.52 142.7 27.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 27' ' ' LEU . 2.5 mmt85 -105.95 160.06 15.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.27 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 11.4 t -98.69 135.05 40.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 108.29 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . 0.576 ' CD2' ' HB2' ' A' ' 26' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.571 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.3 m . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.602 HG22 ' CE ' ' A' ' 15' ' ' LYS . 0.6 OUTLIER -127.25 143.47 40.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -74.16 96.44 2.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.602 ' CE ' HG22 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -56.86 104.89 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 109.304 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.463 ' H ' ' CD2' ' A' ' 20' ' ' HIS . . . -94.02 155.48 21.96 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.512 1.133 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -19.31 17.91 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.463 1.77 . . . . 0.0 111.011 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.569 ' HA ' HG23 ' A' ' 47' ' ' THR . 5.4 mt -120.97 -76.05 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.579 ' HB2' ' HB1' ' A' ' 100' ' ' ALA . 0.0 OUTLIER -109.83 135.09 51.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.579 ' CE1' ' HG3' ' A' ' 15' ' ' LYS . 10.5 m170 -79.36 156.23 28.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.592 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.656 HD13 ' CD2' ' A' ' 43' ' ' LEU . 1.7 mm -128.32 130.44 69.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.531 ' O ' HG23 ' A' ' 41' ' ' ILE . 0.3 OUTLIER -145.28 132.45 10.15 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.054 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 22' ' ' SER . 18.4 Cg_endo -74.99 168.33 77.76 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 121.031 -2.487 . . . . 0.0 111.019 0.045 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.425 ' O ' ' O ' ' A' ' 23' ' ' PRO . . . -47.05 -96.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.508 ' O ' ' CG ' ' A' ' 132' ' ' ARG . 39.3 mt-10 -130.66 62.37 1.6 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.152 . . . . 0.0 110.325 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.422 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 0.4 OUTLIER -164.05 103.26 0.88 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 1.076 HD22 HD22 ' A' ' 131' ' ' LEU . 0.1 OUTLIER -91.2 143.79 26.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -132.37 96.26 3.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 110.949 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.535 ' CE2' HG22 ' A' ' 39' ' ' THR . 84.4 m-85 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.9 mttt . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.575 ' HD2' HG23 ' A' ' 81' ' ' ILE . 0.2 OUTLIER -127.49 142.64 51.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.535 HG22 ' CE2' ' A' ' 29' ' ' PHE . 6.2 t -111.37 158.33 19.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.401 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.598 HD12 ' N ' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -128.7 118.55 23.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.598 ' N ' HD12 ' A' ' 40' ' ' LEU . 62.7 mt -90.8 151.92 3.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 t -126.09 137.49 57.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.783 ' HB2' HG22 ' A' ' 78' ' ' ILE . 16.2 mt -124.28 110.17 14.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -98.09 110.64 23.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.403 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 72' ' ' CYS . 13.6 t-20 -78.88 106.77 11.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.407 HG22 ' O ' ' A' ' 18' ' ' LEU . 12.8 m -82.81 -39.06 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.412 1.07 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.569 HG23 ' HA ' ' A' ' 18' ' ' LEU . 1.6 p -51.32 152.37 2.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.439 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -92.82 29.58 1.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.629 ' O ' HG23 ' A' ' 51' ' ' VAL . 21.5 m-80 -151.07 136.56 17.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 49' ' ' ASN . 25.8 mt -39.18 145.48 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.81 HG22 ' HA ' ' A' ' 102' ' ' GLU . 76.3 t -137.7 123.57 26.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.467 ' HB3' ' HE2' ' A' ' 117' ' ' PHE . . . -81.6 121.26 26.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.891 ' CE2' HD13 ' A' ' 78' ' ' ILE . 25.7 p90 -110.33 163.09 13.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.971 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.449 ' HB2' ' HE2' ' A' ' 99' ' ' MET . 15.1 mttm -157.86 154.13 27.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.647 HG21 HG21 ' A' ' 80' ' ' ILE . 21.6 t -134.22 124.73 46.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.55 ' HG3' ' HB3' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -130.89 166.29 21.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.439 ' OG1' ' N ' ' A' ' 58' ' ' THR . 1.9 t -151.64 176.01 11.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 110.411 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.439 ' N ' ' OG1' ' A' ' 57' ' ' THR . 7.7 p -88.49 21.78 2.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 110.419 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.79 ' HB1' ' CD ' ' A' ' 62' ' ' LYS . . . -165.01 74.39 1.45 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 7.31 2.91 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.446 1.761 . . . . 0.0 110.971 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -125.4 20.85 7.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.79 ' CD ' ' HB1' ' A' ' 59' ' ' ALA . 3.9 mttm -134.46 -47.54 0.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -106.9 118.58 37.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.92 119.88 25.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.137 . . . . 0.0 110.351 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.751 HG13 HG22 ' A' ' 82' ' ' VAL . 2.2 t -115.53 132.15 65.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.521 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.4 OUTLIER -161.93 134.32 4.28 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.845 ' HD2' HD13 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -75.02 133.15 30.1 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 121.0 -2.5 . . . . 0.0 110.982 0.028 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.432 ' N ' ' HA ' ' A' ' 66' ' ' LYS . 88.8 p -112.98 42.5 1.87 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 110.013 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.447 ' N ' ' OD1' ' A' ' 69' ' ' ASN . 9.0 p-10 167.2 84.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.107 . . . . 0.0 109.348 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.09 -169.35 0.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 110.007 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 93.8 p -132.2 158.55 41.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.968 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.578 ' HB3' HD21 ' A' ' 19' ' ' LEU . 51.8 t -119.34 125.09 48.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 108.297 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.55 162.7 10.71 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.437 1.086 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 139.08 23.77 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.502 1.79 . . . . 0.0 110.969 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.63 35.49 86.18 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -139.05 -178.56 5.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 0.731 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 2.2 p -142.59 134.66 27.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.983 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.891 HD13 ' CE2' ' A' ' 53' ' ' PHE . 1.1 tt -105.05 169.23 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -128.12 119.82 26.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.845 HD13 ' HD2' ' A' ' 67' ' ' PRO . 2.7 mm -116.1 104.58 16.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.575 HG23 ' HD2' ' A' ' 38' ' ' LYS . 2.3 mp -77.96 146.51 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.751 HG22 HG13 ' A' ' 65' ' ' VAL . 96.3 t -136.82 98.22 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.253 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -116.94 124.28 29.37 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 110.017 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.462 ' HG3' ' CG1' ' A' ' 90' ' ' VAL . 18.4 Cg_endo -75.0 175.83 10.72 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.431 1.753 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.572 ' CD2' ' HA ' ' A' ' 62' ' ' LYS . 1.1 m-70 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.625 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.461 ' OG1' ' N ' ' A' ' 90' ' ' VAL . 1.7 t . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.462 ' CG1' ' HG3' ' A' ' 84' ' ' PRO . 3.3 m -100.81 5.42 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.363 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.4 m 40.04 -156.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.949 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -128.41 18.17 6.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -112.12 -24.23 9.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.138 . . . . 0.0 110.274 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -59.45 139.17 57.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.244 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.69 142.43 51.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.458 ' O ' ' N ' ' A' ' 131' ' ' LEU . 39.2 m-85 -116.87 142.99 46.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.829 HD13 ' N ' ' A' ' 98' ' ' ILE . 1.7 tm? -128.46 147.29 50.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.341 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.829 ' N ' HD13 ' A' ' 97' ' ' LEU . 3.3 mt -135.43 131.31 51.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.461 ' HG3' HD11 ' A' ' 97' ' ' LEU . 2.0 mtp -107.79 154.44 21.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.579 ' HB1' ' HB2' ' A' ' 19' ' ' LEU . . . -161.44 117.59 2.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.792 ' HB2' HG23 ' A' ' 126' ' ' VAL . . . -128.78 132.99 47.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.81 ' HA ' HG22 ' A' ' 51' ' ' VAL . 1.2 tt0 -69.9 121.51 17.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.632 ' CG ' ' CZ ' ' A' ' 117' ' ' PHE . 9.6 mtp -85.33 171.47 11.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 111.025 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -81.07 -170.32 2.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -49.59 -84.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.353 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.15 122.01 25.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.979 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.761 ' O ' HG23 ' A' ' 109' ' ' THR . 13.3 m -124.76 104.17 8.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.985 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 109' ' ' THR . . . -52.06 -19.92 5.99 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.761 HG23 ' O ' ' A' ' 107' ' ' SER . 51.6 p 38.04 51.35 1.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 0.758 . . . . 0.0 110.391 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.723 ' O ' HD12 ' A' ' 114' ' ' LEU . . . -120.6 -168.68 13.71 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.5 1.125 . . . . 0.0 110.971 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -28.1 9.43 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.555 1.818 . . . . 0.0 111.026 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -87.5 -67.7 0.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 117' ' ' PHE . 1.5 mm-40 -38.28 -47.3 1.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.723 HD12 ' O ' ' A' ' 110' ' ' GLY . 78.2 mt -60.04 -66.1 0.57 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.73 -33.69 3.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 110.032 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.525 ' HA ' ' CG ' ' A' ' 119' ' ' LYS . 2.0 mt-30 -80.14 -32.12 38.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.258 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.632 ' CZ ' ' CG ' ' A' ' 103' ' ' MET . 75.5 t80 -84.2 -18.6 36.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 111.067 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . 0.898 ' CZ3' HG21 ' A' ' 126' ' ' VAL . 55.1 m95 -92.37 -26.49 18.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 107.99 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.525 ' CG ' ' HA ' ' A' ' 116' ' ' GLN . 0.0 OUTLIER -83.62 -23.51 31.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -92.15 -41.65 10.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 110.296 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.651 HG12 ' HA ' ' A' ' 118' ' ' TRP . 9.9 p -69.26 119.45 70.42 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.6 ' O ' HG12 ' A' ' 126' ' ' VAL . 18.1 Cg_endo -75.02 170.02 21.34 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.472 1.775 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.563 ' HA ' HG12 ' A' ' 126' ' ' VAL . 0.0 OUTLIER -77.63 0.66 22.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -100.46 -13.89 18.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.514 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 30.1 mmtt -104.25 -26.93 12.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.898 HG21 ' CZ3' ' A' ' 118' ' ' TRP . 14.9 p -95.65 140.17 17.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . 0.45 ' O ' ' HA ' ' A' ' 99' ' ' MET . 66.9 ttp -81.47 156.1 25.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.482 ' HB3' HD21 ' A' ' 97' ' ' LEU . 40.6 mt-10 -142.43 113.8 7.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 110.311 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . 0.642 ' HD2' HG21 ' A' ' 21' ' ' ILE . 84.0 t60 -119.98 126.51 51.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 109.639 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.418 ' HD2' HD23 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -98.32 125.25 43.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.287 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 1.076 HD22 HD22 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -99.62 144.37 28.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.157 . . . . 0.0 109.302 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.508 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 7.7 ptp180 -115.24 154.75 28.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.282 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' CYS . . . . . 0.417 ' SG ' HG21 ' A' ' 90' ' ' VAL . 1.9 t -91.87 144.61 25.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 108.29 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.597 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.752 HG22 ' OG ' ' A' ' 22' ' ' SER . 65.2 t -137.16 133.05 47.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.519 ' CG ' ' CE1' ' A' ' 129' ' ' HIS . 53.5 t80 -75.6 94.87 3.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.678 ' HG3' ' CE1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -63.93 84.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.17 154.64 46.56 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.48 1.113 . . . . 0.0 111.014 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.5 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.2 Cg_endo -75.01 -18.5 18.66 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.471 1.774 . . . . 0.0 110.97 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.62 ' HA ' HG23 ' A' ' 47' ' ' THR . 0.4 OUTLIER -125.04 -69.31 0.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.748 HD23 ' CG1' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -109.64 128.81 55.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.248 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.678 ' CE1' ' HG3' ' A' ' 15' ' ' LYS . 6.8 m170 -82.95 120.38 25.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.631 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.964 HG21 ' CD2' ' A' ' 129' ' ' HIS . 1.5 mm -94.16 136.49 25.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.752 ' OG ' HG22 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -145.1 129.21 8.79 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.026 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.524 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 18.2 Cg_endo -75.04 -161.67 2.56 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 120.994 -2.503 . . . . 0.0 110.965 0.049 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.58 -107.28 0.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.452 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 0.3 OUTLIER -100.69 65.13 1.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.327 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.524 ' O ' ' HG2' ' A' ' 23' ' ' PRO . 0.0 OUTLIER -163.98 146.85 9.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.298 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.711 ' HG ' HG21 ' A' ' 39' ' ' THR . 1.0 OUTLIER -147.63 123.0 10.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -121.25 102.59 8.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 111.046 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.432 ' CE2' HG12 ' A' ' 82' ' ' VAL . 9.0 m-85 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.5 mttm . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.556 ' HD2' HG23 ' A' ' 81' ' ' ILE . 0.2 OUTLIER -150.16 142.31 24.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.711 HG21 ' HG ' ' A' ' 27' ' ' LEU . 14.5 t -110.31 163.82 13.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.112 . . . . 0.0 110.371 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.504 ' CD1' ' C ' ' A' ' 80' ' ' ILE . 0.3 OUTLIER -132.76 117.65 18.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.232 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.902 HD13 HD11 ' A' ' 98' ' ' ILE . 21.5 mt -92.52 130.92 40.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 t -106.07 133.13 51.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.868 ' HB2' HG22 ' A' ' 78' ' ' ILE . 27.8 mt -116.04 101.16 8.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -91.22 108.56 19.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.415 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.441 ' CG ' ' HA ' ' A' ' 74' ' ' PRO . 52.4 t-20 -78.57 106.05 10.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 18' ' ' LEU . 35.6 m -85.78 -39.25 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.62 HG23 ' HA ' ' A' ' 18' ' ' LEU . 1.6 p -51.7 154.96 1.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.406 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.93 29.76 2.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.58 ' O ' HG23 ' A' ' 51' ' ' VAL . 7.5 m-80 -152.07 137.01 17.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.269 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.415 ' C ' ' O ' ' A' ' 49' ' ' ASN . 23.8 mt -38.85 148.35 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.777 HG22 ' HA ' ' A' ' 102' ' ' GLU . 73.6 t -138.77 123.1 20.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.603 ' HB3' ' HE2' ' A' ' 117' ' ' PHE . . . -84.39 131.9 34.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.355 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.614 ' CE2' HD13 ' A' ' 78' ' ' ILE . 44.4 p90 -124.39 144.56 49.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.992 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.57 ' HE3' ' CD1' ' A' ' 118' ' ' TRP . 9.5 mttt -137.49 124.25 21.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 1.03 HG21 HG21 ' A' ' 80' ' ' ILE . 39.9 t -95.13 121.99 46.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -126.73 141.57 51.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.532 1.145 . . . . 0.0 110.304 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.506 HG23 ' H ' ' A' ' 59' ' ' ALA . 5.1 t -135.48 170.89 15.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 110.375 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 24.1 p -88.26 21.22 2.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.415 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.775 ' HB1' ' HB2' ' A' ' 62' ' ' LYS . . . -164.65 75.32 1.53 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.127 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -1.24 10.98 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.53 1.805 . . . . 0.0 110.965 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.467 ' O ' ' CD2' ' A' ' 85' ' ' HIS . 14.1 pt-20 -118.82 12.1 12.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.775 ' HB2' ' HB1' ' A' ' 59' ' ' ALA . 20.1 mttt -124.79 -50.2 1.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.356 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.574 ' CD2' ' HB3' ' A' ' 59' ' ' ALA . 31.1 m-85 -102.64 115.22 30.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 110.969 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.28 106.81 13.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.325 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.918 HG13 HG22 ' A' ' 82' ' ' VAL . 2.1 t -104.51 132.43 51.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.51 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.0 OUTLIER -163.01 134.51 3.79 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.753 ' HD2' HD13 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -74.99 133.68 32.5 Favored 'Cis proline' 0 C--N 1.359 1.12 0 C-N-CA 121.024 -2.49 . . . . 0.0 111.038 -0.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.415 ' HB3' ' O ' ' A' ' 65' ' ' VAL . 88.6 p -110.97 45.43 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.983 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 68' ' ' SER . 0.6 OUTLIER 164.11 88.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.438 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 3.3 t -173.37 -177.34 1.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.006 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 54.4 p -124.51 158.31 33.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.018 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 44.4 t -118.2 116.4 26.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 108.304 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -53.02 161.97 1.13 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.441 ' HA ' ' CG ' ' A' ' 45' ' ' ASN . 18.3 Cg_endo -75.04 138.73 23.3 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.65 32.87 71.03 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -138.46 -179.16 5.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 0.745 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.5 p -143.54 134.47 25.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.999 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.868 HG22 ' HB2' ' A' ' 43' ' ' LEU . 1.1 tt -104.78 169.96 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -128.77 118.38 22.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 1.03 HG21 HG21 ' A' ' 55' ' ' VAL . 3.7 mm -114.55 111.54 36.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.556 HG23 ' HD2' ' A' ' 38' ' ' LYS . 1.9 mp -82.15 147.22 6.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.918 HG22 HG13 ' A' ' 65' ' ' VAL . 64.2 t -140.72 98.52 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 29.5 t -125.04 143.64 44.73 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 110.008 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 171.42 18.35 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.534 1.807 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.467 ' CD2' ' O ' ' A' ' 61' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.586 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.453 ' OG1' ' N ' ' A' ' 90' ' ' VAL . 1.4 t . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.453 ' N ' ' OG1' ' A' ' 89' ' ' THR . 1.3 m -84.99 135.02 25.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.138 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.42 -168.96 1.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.004 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -85.66 -9.67 56.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -92.56 -25.77 18.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 110.306 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.571 ' OD1' ' CE2' ' A' ' 63' ' ' TYR . 42.8 t0 -60.12 128.35 36.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.155 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.426 ' HG3' ' N ' ' A' ' 96' ' ' PHE . 7.5 tpp180 -133.16 142.76 48.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.679 ' CZ ' ' CG1' ' A' ' 82' ' ' VAL . 38.4 m-85 -115.47 154.32 29.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.953 HD11 ' HB3' ' A' ' 128' ' ' GLU . 24.7 tp -137.76 146.4 43.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.902 HD11 HD13 ' A' ' 41' ' ' ILE . 3.4 mt -136.71 120.93 24.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.547 ' HB3' ' CH2' ' A' ' 118' ' ' TRP . 9.9 mtm -93.83 156.14 16.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.602 ' HB3' ' HB3' ' A' ' 127' ' ' MET . . . -161.41 121.0 2.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.743 ' HB1' HG21 ' A' ' 121' ' ' VAL . . . -133.41 130.32 38.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.777 ' HA ' HG22 ' A' ' 51' ' ' VAL . 0.7 OUTLIER -70.34 120.4 15.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.557 ' HG2' ' CZ ' ' A' ' 117' ' ' PHE . 12.5 mtp -85.59 171.71 11.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -79.91 -169.83 2.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -52.35 -84.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.266 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.27 121.88 22.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.1 . . . . 0.0 109.973 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.2 m -122.82 130.25 52.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 110.003 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -79.92 -29.75 45.7 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.57 1.169 . . . . 0.0 110.963 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 59.7 p 46.99 70.55 0.39 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.544 0.791 . . . . 0.0 110.389 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.459 ' O ' HD12 ' A' ' 114' ' ' LEU . . . -140.59 -158.78 7.69 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.477 1.111 . . . . 0.0 111.026 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -50.49 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.542 1.812 . . . . 0.0 110.977 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -73.45 -64.09 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.252 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 112' ' ' ALA . 0.5 OUTLIER -34.43 -54.45 0.53 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.327 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.459 HD12 ' O ' ' A' ' 110' ' ' GLY . 73.0 mt -56.57 -64.79 0.75 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.169 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.411 ' O ' ' CG ' ' A' ' 119' ' ' LYS . 0.1 OUTLIER -47.75 -31.6 4.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.003 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.523 ' HA ' ' CG ' ' A' ' 119' ' ' LYS . 1.6 mt-30 -79.33 -31.2 43.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.337 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.607 ' O ' HG12 ' A' ' 121' ' ' VAL . 33.8 t80 -85.38 -21.79 28.69 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . 0.597 ' HA ' HG12 ' A' ' 121' ' ' VAL . 60.9 m95 -89.32 -23.39 22.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 108.047 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.523 ' CG ' ' HA ' ' A' ' 116' ' ' GLN . 0.0 OUTLIER -86.99 -27.99 22.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.274 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.46 ' CG ' ' HD2' ' A' ' 119' ' ' LYS . 2.3 mt-10 -86.09 -39.84 16.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.555 1.16 . . . . 0.0 110.316 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.743 HG21 ' HB1' ' A' ' 101' ' ' ALA . 7.4 p -69.04 127.42 93.08 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.831 ' O ' HG23 ' A' ' 126' ' ' VAL . 18.2 Cg_endo -75.03 172.63 16.0 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.486 1.782 . . . . 0.0 111.017 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.68 -20.71 60.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -76.22 -20.07 57.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.09 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.493 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 18.5 mmtt -103.94 -16.48 15.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.091 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.831 HG23 ' O ' ' A' ' 122' ' ' PRO . 41.5 t -78.44 104.8 6.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . 0.602 ' HB3' ' HB3' ' A' ' 100' ' ' ALA . 22.5 ttp -80.82 99.83 8.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 111.031 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.953 ' HB3' HD11 ' A' ' 97' ' ' LEU . 26.6 mt-10 -97.96 135.75 39.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . 0.964 ' CD2' HG21 ' A' ' 21' ' ' ILE . 71.7 t60 -128.51 114.98 17.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.591 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.448 ' HG3' HD13 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -90.11 121.78 32.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.526 ' HB3' HD22 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -93.71 149.47 21.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.326 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.474 ' O ' ' N ' ' A' ' 27' ' ' LEU . 4.7 ptm180 -129.36 149.07 51.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 110.248 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 12.3 t -88.09 156.37 19.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 108.345 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.63 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.549 HG22 ' HE3' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -124.71 138.45 54.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.559 ' CD2' ' ND1' ' A' ' 129' ' ' HIS . 3.2 t80 -75.15 96.06 3.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.588 ' HG3' ' CE1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -52.2 97.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.473 ' H ' ' CD2' ' A' ' 20' ' ' HIS . . . -88.2 157.62 28.27 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.414 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.4 Cg_endo -74.98 -17.53 19.52 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.54 1.811 . . . . 0.0 111.068 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.628 ' HA ' HG23 ' A' ' 47' ' ' THR . 0.3 OUTLIER -128.05 -76.6 0.56 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.652 HD23 ' CG1' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -102.55 127.59 49.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.588 ' CE1' ' HG3' ' A' ' 15' ' ' LYS . 10.5 m170 -79.65 126.28 30.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.6 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.887 HG21 ' CD2' ' A' ' 129' ' ' HIS . 1.5 mm -95.51 137.36 23.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.474 ' HA ' ' C ' ' A' ' 23' ' ' PRO . 0.3 OUTLIER -146.89 130.71 8.38 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.03 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.515 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 18.4 Cg_endo -75.0 -164.38 3.58 Favored 'Cis proline' 0 C--N 1.36 1.134 0 C-N-CA 121.006 -2.497 . . . . 0.0 111.03 -0.029 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.08 -106.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -110.01 65.37 0.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.323 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.515 ' O ' ' HG2' ' A' ' 23' ' ' PRO . 10.9 pt-20 -163.04 147.29 11.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.319 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.702 HD22 HG21 ' A' ' 39' ' ' THR . 14.5 mt -149.09 133.78 17.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -131.43 101.98 5.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.148 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.682 ' CE1' HG21 ' A' ' 90' ' ' VAL . 19.5 m-85 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.1 mttt . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.602 ' HD2' HG23 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -142.88 141.89 31.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.702 HG21 HD22 ' A' ' 27' ' ' LEU . 7.8 t -106.09 162.46 13.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.4 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.506 ' CD1' ' C ' ' A' ' 80' ' ' ILE . 0.7 OUTLIER -131.86 116.92 17.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.883 HD13 HD11 ' A' ' 98' ' ' ILE . 21.9 mt -90.81 139.35 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 t -114.53 133.92 59.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.863 ' HB2' HG22 ' A' ' 78' ' ' ILE . 58.6 mt -118.57 104.53 10.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.417 ' C ' HD13 ' A' ' 19' ' ' LEU . 1.2 m -94.66 104.28 16.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.377 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.586 ' OD1' HD22 ' A' ' 19' ' ' LEU . 19.5 t-20 -75.89 106.91 7.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.622 HG22 ' O ' ' A' ' 18' ' ' LEU . 12.5 m -85.09 -38.39 13.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.628 HG23 ' HA ' ' A' ' 18' ' ' LEU . 1.7 p -49.56 155.11 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.414 1.071 . . . . 0.0 110.432 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.28 28.83 3.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.668 ' O ' HG23 ' A' ' 51' ' ' VAL . 6.6 m-80 -149.93 139.62 21.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 103' ' ' MET . 12.3 mt -39.27 140.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.791 HG22 ' HA ' ' A' ' 102' ' ' GLU . 58.4 t -134.54 117.61 24.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.28 133.58 35.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.731 ' CE2' HD13 ' A' ' 78' ' ' ILE . 31.8 p90 -123.99 161.6 25.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.956 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.517 ' HB2' ' HE2' ' A' ' 99' ' ' MET . 0.3 OUTLIER -154.08 148.35 25.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.333 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.801 HG21 HG21 ' A' ' 80' ' ' ILE . 80.5 t -122.13 114.3 42.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -121.27 144.8 48.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.171 . . . . 0.0 110.277 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.9 t -137.28 168.3 19.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.392 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 18.9 p -79.38 3.15 19.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 110.432 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.765 ' HB1' ' HB2' ' A' ' 62' ' ' LYS . . . -150.84 76.61 8.02 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -28.21 9.46 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.476 1.777 . . . . 0.0 111.044 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -88.99 8.93 27.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.258 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.765 ' HB2' ' HB1' ' A' ' 59' ' ' ALA . 14.6 mttm -119.48 -46.15 2.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.112 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.712 ' CE2' ' HB3' ' A' ' 59' ' ' ALA . 44.1 m-85 -105.04 117.2 33.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 111.001 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.78 106.35 11.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.288 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.71 HG11 ' CG1' ' A' ' 55' ' ' VAL . 6.1 t -104.38 131.23 53.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.474 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.0 OUTLIER -162.98 129.12 2.31 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.657 ' HD2' HD13 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -75.03 141.53 72.03 Favored 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 120.998 -2.501 . . . . 0.0 110.982 0.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 87.5 p -113.58 24.76 11.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 110.018 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 62.1 t-20 179.8 109.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.9 -163.65 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.488 1.118 . . . . 0.0 110.031 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.504 ' HG ' ' C ' ' A' ' 51' ' ' VAL . 3.7 t -136.93 167.99 20.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 0.0 110.03 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.443 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 51.7 t -129.41 122.85 30.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 108.307 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -55.66 161.26 3.32 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 134.71 18.14 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.495 1.787 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.67 38.13 51.16 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -143.66 179.95 6.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 0.746 . . . . 0.0 109.303 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 2.3 p -140.84 135.01 30.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.043 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.863 HG22 ' HB2' ' A' ' 43' ' ' LEU . 1.1 tt -105.21 172.27 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.405 ' O ' ' HD2' ' A' ' 67' ' ' PRO . 5.5 m-20 -131.73 125.28 31.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.801 HG21 HG21 ' A' ' 55' ' ' VAL . 4.0 mm -120.56 107.75 21.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.602 HG23 ' HD2' ' A' ' 38' ' ' LYS . 2.0 mp -79.42 143.93 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.611 HG11 ' CZ ' ' A' ' 96' ' ' PHE . 53.9 t -134.47 97.68 2.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.1 t -119.3 135.87 24.21 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.995 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -176.53 2.93 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.495 1.787 . . . . 0.0 110.974 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.579 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.415 ' OG1' ' N ' ' A' ' 90' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.419 -0.215 . . . . 0.0 110.419 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.682 HG21 ' CE1' ' A' ' 29' ' ' PHE . 2.4 p -139.65 84.44 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.02 -162.6 0.62 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.972 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -98.8 27.15 5.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -108.69 -26.68 10.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.591 ' CG ' ' CE2' ' A' ' 63' ' ' TYR . 1.6 t0 -85.6 128.42 34.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.68 142.04 46.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.293 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.611 ' CZ ' HG11 ' A' ' 82' ' ' VAL . 39.2 m-85 -108.18 154.74 21.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.712 HD13 ' N ' ' A' ' 98' ' ' ILE . 2.9 tm? -138.15 144.99 41.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.883 HD11 HD13 ' A' ' 41' ' ' ILE . 4.7 mt -136.74 131.84 47.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.517 ' HE2' ' HB2' ' A' ' 54' ' ' LYS . 3.3 mtp -110.03 152.2 26.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.941 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.515 ' C ' HG23 ' A' ' 126' ' ' VAL . . . -159.45 117.0 2.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.799 ' HB2' ' HB ' ' A' ' 126' ' ' VAL . . . -127.44 135.97 51.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.791 ' HA ' HG22 ' A' ' 51' ' ' VAL . 1.1 tt0 -69.44 117.27 10.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.281 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.577 ' HG2' ' CE1' ' A' ' 117' ' ' PHE . 0.0 OUTLIER -97.8 172.34 7.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.958 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -64.71 -141.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.252 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.422 ' HG3' ' N ' ' A' ' 106' ' ' SER . 19.3 pt20 -111.58 -44.2 3.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.298 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.422 ' N ' ' HG3' ' A' ' 105' ' ' GLN . 0.5 OUTLIER -90.58 120.68 31.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.011 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.533 ' HB2' ' HE1' ' A' ' 103' ' ' MET . 0.0 OUTLIER -171.97 136.81 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.989 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -86.67 -5.63 81.35 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.512 1.132 . . . . 0.0 111.022 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.537 ' HA ' ' CD2' ' A' ' 114' ' ' LEU . 38.2 p 46.2 30.77 1.04 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 0.737 . . . . 0.0 110.396 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.911 ' O ' HD23 ' A' ' 114' ' ' LEU . . . -82.75 -167.17 40.38 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.514 1.134 . . . . 0.0 111.029 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -20.14 17.14 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.52 1.8 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -93.48 -64.27 1.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 112' ' ' ALA . 3.2 mm-40 -38.41 -49.61 1.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.316 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.911 HD23 ' O ' ' A' ' 110' ' ' GLY . 2.5 mm? -53.52 -70.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 114' ' ' LEU . 0.3 OUTLIER -38.76 -43.88 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.008 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -56.87 -62.39 1.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 110.276 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.877 ' O ' HG12 ' A' ' 121' ' ' VAL . 23.1 t80 -56.58 -37.47 70.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 111.028 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . 0.791 ' CZ3' HG21 ' A' ' 126' ' ' VAL . 87.9 m95 -72.03 -12.31 61.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 108.027 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.21 -23.62 17.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -98.61 -42.96 7.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.877 HG12 ' O ' ' A' ' 117' ' ' PHE . 9.7 p -69.38 124.18 89.93 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.563 ' HG2' ' CG ' ' A' ' 125' ' ' LYS . 18.4 Cg_endo -74.96 166.57 28.94 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.508 1.794 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.515 ' C ' ' CD ' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -79.26 -1.19 35.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . 0.505 ' N ' ' HD2' ' A' ' 123' ' ' ARG . 0.6 OUTLIER -102.77 -3.49 26.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.563 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 34.8 mmtt -109.25 -28.15 9.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.799 ' HB ' ' HB2' ' A' ' 101' ' ' ALA . 4.4 p -90.61 140.26 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . 0.47 ' HG2' ' N ' ' A' ' 128' ' ' GLU . 63.1 ttp -79.73 155.49 27.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.47 ' N ' ' HG2' ' A' ' 127' ' ' MET . 50.2 mt-10 -135.18 121.38 20.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.281 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . 0.887 ' CD2' HG21 ' A' ' 21' ' ' ILE . 73.0 t60 -122.88 124.46 43.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.602 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.559 ' HD2' HD23 ' A' ' 97' ' ' LEU . 1.0 OUTLIER -101.44 121.62 42.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.622 HD22 ' CD2' ' A' ' 129' ' ' HIS . 0.2 OUTLIER -92.53 145.15 24.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.235 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -117.17 150.26 39.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 3.9 m -88.38 132.65 34.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 108.264 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.541 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.1 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.886 HG22 ' OG ' ' A' ' 22' ' ' SER . 52.9 t -127.48 125.55 65.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.413 ' O ' ' N ' ' A' ' 16' ' ' GLY . 59.7 t80 -73.73 95.25 2.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 110.936 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.612 ' CG ' ' CE1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -65.43 79.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.616 ' N ' ' CD2' ' A' ' 20' ' ' HIS . . . -61.56 161.44 26.92 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.486 1.116 . . . . 0.0 110.965 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -18.2 18.88 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.515 1.797 . . . . 0.0 111.024 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.488 ' O ' HG23 ' A' ' 47' ' ' THR . 3.1 mt -128.37 -69.05 0.74 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.492 HD22 ' HA ' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -107.51 125.36 51.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.132 . . . . 0.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.616 ' CD2' ' N ' ' A' ' 16' ' ' GLY . 13.4 m170 -85.8 123.89 31.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.607 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.51 ' O ' HG13 ' A' ' 13' ' ' VAL . 28.6 mt -95.86 160.5 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.886 ' OG ' HG22 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -157.67 128.81 3.72 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.015 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.431 ' C ' ' HA ' ' A' ' 22' ' ' SER . 18.2 Cg_endo -75.0 -164.04 3.42 Favored 'Cis proline' 0 C--N 1.36 1.176 0 C-N-CA 120.965 -2.515 . . . . 0.0 111.049 -0.049 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.38 -91.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.548 ' HA ' HD23 ' A' ' 131' ' ' LEU . 27.1 mt-10 -132.71 62.85 1.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.345 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.412 ' O ' ' HG2' ' A' ' 23' ' ' PRO . 0.0 OUTLIER -162.07 102.85 1.13 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 110.316 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 1.026 ' HG ' HG21 ' A' ' 39' ' ' THR . 1.6 tp -99.43 119.62 38.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.572 ' CE1' ' HB3' ' A' ' 134' ' ' HIS . 1.7 m-85 -109.04 98.79 8.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.59 ' CZ ' HD23 ' A' ' 27' ' ' LEU . 88.7 m-85 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.978 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.7 mttt . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.423 ' C ' ' CD ' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -123.98 151.14 44.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 1.026 HG21 ' HG ' ' A' ' 27' ' ' LEU . 2.3 t -116.43 159.95 21.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.408 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.752 HD11 ' HB2' ' A' ' 79' ' ' ASP . 2.2 tp -133.07 118.1 18.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.74 HG23 ' O ' ' A' ' 22' ' ' SER . 33.7 mt -89.7 144.01 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 t -113.66 139.99 36.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.861 ' HB2' HG22 ' A' ' 78' ' ' ILE . 41.3 mt -124.91 105.11 8.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.367 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.0 m -90.39 98.81 11.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.442 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.492 ' HA ' HD22 ' A' ' 19' ' ' LEU . 25.3 t-20 -45.66 101.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.909 ' O ' HG12 ' A' ' 46' ' ' VAL . 1.6 t -103.49 67.23 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.088 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.518 ' CG2' ' O ' ' A' ' 46' ' ' VAL . 25.4 p -157.77 174.75 14.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.385 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.402 ' O ' ' CG ' ' A' ' 49' ' ' ASN . 0.0 OUTLIER -104.97 20.7 18.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.243 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.472 ' O ' HG23 ' A' ' 51' ' ' VAL . 9.8 m-80 -163.45 155.42 17.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.429 1.081 . . . . 0.0 109.341 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.405 HG22 ' SD ' ' A' ' 103' ' ' MET . 17.9 mt -43.09 147.42 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.496 ' CG2' ' OG1' ' A' ' 47' ' ' THR . 71.2 t -134.27 120.6 34.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.42 ' HA ' ' CB ' ' A' ' 71' ' ' SER . . . -88.29 123.05 32.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.531 ' CE1' HD13 ' A' ' 78' ' ' ILE . 47.1 p90 -117.01 164.4 14.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 111.027 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.643 ' HB2' ' HE2' ' A' ' 99' ' ' MET . 22.7 mttt -151.98 147.04 26.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 1.13 HG21 HG21 ' A' ' 80' ' ' ILE . 88.4 t -114.4 122.11 67.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.471 ' HB2' HD12 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -123.03 173.8 7.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -172.36 161.5 5.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.398 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 25.5 p -77.92 1.63 19.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.389 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.837 ' HB1' ' HD3' ' A' ' 62' ' ' LYS . . . -154.47 74.75 5.9 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.25 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -4.0 14.75 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.491 1.785 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -105.4 19.62 20.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 110.266 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.837 ' HD3' ' HB1' ' A' ' 59' ' ' ALA . 1.8 mtpm? -131.92 -45.11 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.596 ' CE2' ' OD2' ' A' ' 94' ' ' ASP . 68.9 m-85 -101.41 125.2 48.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -87.78 96.47 10.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.108 . . . . 0.0 110.317 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.486 ' O ' ' CG2' ' A' ' 65' ' ' VAL . 0.7 OUTLIER -96.78 116.64 39.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.415 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.0 OUTLIER -148.27 125.41 5.59 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.752 ' O ' HG23 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -75.0 159.22 98.34 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 121.027 -2.489 . . . . 0.0 110.994 0.035 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.462 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 73.8 p -113.96 -30.75 6.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.002 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 -133.42 100.69 4.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -162.94 -178.23 5.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.972 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.42 ' CB ' ' HA ' ' A' ' 52' ' ' ALA . 66.6 p -137.09 152.94 50.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.989 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.444 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 41.0 t -118.77 143.16 47.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 108.32 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.466 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 0.7 OUTLIER -77.08 168.95 23.8 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.467 ' HA ' ' OD1' ' A' ' 45' ' ' ASN . 18.2 Cg_endo -74.97 124.75 8.87 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.56 1.821 . . . . 0.0 110.983 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 85.1 38.16 9.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.463 1.102 . . . . 0.0 110.988 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -143.57 169.55 17.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 0.777 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.415 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 2.1 p -135.03 134.65 40.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.988 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.861 HG22 ' HB2' ' A' ' 43' ' ' LEU . 0.7 OUTLIER -105.62 171.39 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.752 ' HB2' HD11 ' A' ' 40' ' ' LEU . 3.3 p-10 -132.13 121.96 24.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 1.13 HG21 HG21 ' A' ' 55' ' ' VAL . 4.7 mm -115.3 96.66 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.41 ' N ' HD13 ' A' ' 40' ' ' LEU . 3.6 mp -73.84 122.44 26.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.486 ' HB ' HG22 ' A' ' 39' ' ' THR . 60.8 t -113.21 99.8 9.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.416 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 3.1 p -117.63 133.38 23.3 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.999 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 83' ' ' SER . 18.3 Cg_endo -74.97 176.35 10.02 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.481 1.78 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.616 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.404 ' OG1' ' N ' ' A' ' 90' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.42 HG11 ' CG ' ' A' ' 29' ' ' PHE . 2.3 p -91.17 132.32 35.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.3 t -128.65 175.47 8.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.005 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -90.73 39.18 0.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -112.68 -26.9 8.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.596 ' OD2' ' CE2' ' A' ' 63' ' ' TYR . 0.5 OUTLIER -97.32 172.49 7.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.355 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.43 ' HG3' ' N ' ' A' ' 96' ' ' PHE . 4.7 tpp180 -149.77 143.45 25.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.476 ' CZ ' ' CG1' ' A' ' 82' ' ' VAL . 28.8 m-85 -105.5 154.48 20.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.964 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.719 HD13 ' N ' ' A' ' 98' ' ' ILE . 2.0 tm? -137.68 139.97 40.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.719 ' N ' HD13 ' A' ' 97' ' ' LEU . 2.7 mt -127.97 132.52 68.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.643 ' HE2' ' HB2' ' A' ' 54' ' ' LYS . 13.2 mtp -110.5 155.74 21.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.452 ' HB1' ' HB2' ' A' ' 19' ' ' LEU . . . -162.62 117.34 1.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.84 ' HB2' HG23 ' A' ' 126' ' ' VAL . . . -129.73 133.64 47.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.34 129.0 38.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.532 ' CG ' ' CZ ' ' A' ' 117' ' ' PHE . 10.0 mtp -97.04 171.77 8.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -74.97 -170.87 1.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -49.06 -95.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.285 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.02 107.34 19.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.008 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 16.5 m -127.97 125.87 40.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.408 1.067 . . . . 0.0 110.031 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -60.88 130.0 47.29 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.504 1.127 . . . . 0.0 111.024 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 61.6 p -98.47 55.84 1.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 0.75 . . . . 0.0 110.43 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -110.25 -175.49 20.74 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.536 1.148 . . . . 0.0 111.01 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -15.79 20.51 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.515 1.797 . . . . 0.0 110.981 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -92.11 -70.49 0.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 112' ' ' ALA . 2.7 mm-40 -37.0 -46.89 0.68 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 95.9 mt -61.82 -66.01 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.9 t -38.1 -39.0 0.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.045 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -74.65 -53.17 9.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.302 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.811 ' O ' HG12 ' A' ' 121' ' ' VAL . 91.9 t80 -58.67 -27.35 64.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . 0.906 ' CZ3' HG21 ' A' ' 126' ' ' VAL . 58.2 m95 -82.85 -14.4 54.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 107.992 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.422 ' C ' ' HD3' ' A' ' 119' ' ' LYS . 0.0 OUTLIER -94.69 -20.35 19.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -96.51 -43.78 7.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.811 HG12 ' O ' ' A' ' 117' ' ' PHE . 9.2 p -70.14 120.18 76.5 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.128 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.662 ' O ' HG12 ' A' ' 126' ' ' VAL . 18.2 Cg_endo -75.05 178.9 6.66 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.487 1.783 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.562 ' HA ' HG12 ' A' ' 126' ' ' VAL . 0.0 OUTLIER -84.98 0.92 49.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 110.327 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -101.2 -14.96 17.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.511 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 25.4 mmtt -102.62 -27.69 12.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.906 HG21 ' CZ3' ' A' ' 118' ' ' TRP . 14.2 p -94.21 137.53 22.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 109.342 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . 0.462 ' SD ' ' N ' ' A' ' 128' ' ' GLU . 18.5 tmm? -80.69 151.57 28.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.462 ' N ' ' SD ' ' A' ' 127' ' ' MET . 58.4 mt-10 -138.13 128.37 25.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . 0.503 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 73.3 t60 -136.21 125.75 25.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.61 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.429 ' HA ' ' O ' ' A' ' 96' ' ' PHE . 0.9 OUTLIER -97.41 123.39 41.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.277 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.716 HD22 HD13 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -95.35 150.3 20.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.497 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -124.9 146.67 49.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.333 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 20.0 p -86.49 143.33 27.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 108.322 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . 0.572 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.569 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.9 p . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.762 HG22 ' OG ' ' A' ' 22' ' ' SER . 67.2 t -140.04 123.24 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.679 ' CD2' ' ND1' ' A' ' 129' ' ' HIS . 18.5 t80 -73.51 95.13 2.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.545 ' HD3' ' CE1' ' A' ' 20' ' ' HIS . 18.0 mmtp -60.35 99.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.476 ' H ' ' CD2' ' A' ' 20' ' ' HIS . . . -85.76 157.63 31.32 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.536 1.147 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.41 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.4 Cg_endo -74.94 -17.2 19.9 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.503 1.791 . . . . 0.0 111.02 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.612 ' O ' HG22 ' A' ' 46' ' ' VAL . 1.2 mt -123.95 -75.91 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.922 ' CB ' HG11 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -108.99 126.47 53.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.232 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.82 ' N ' HD22 ' A' ' 19' ' ' LEU . 17.3 m170 -78.6 119.0 21.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.603 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.691 HD13 ' CG2' ' A' ' 98' ' ' ILE . 40.5 mt -96.02 150.76 4.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.808 ' O ' HG23 ' A' ' 41' ' ' ILE . 2.5 m -147.97 141.71 15.84 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.982 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 22' ' ' SER . 18.4 Cg_endo -74.97 -161.96 2.64 Favored 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 121.042 -2.483 . . . . 0.0 111.002 0.033 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.448 ' O ' ' NE2' ' A' ' 129' ' ' HIS . . . -81.06 -89.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -129.21 55.63 1.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.291 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.429 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 8.6 pt-20 -163.44 104.38 0.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.268 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.681 ' HG ' HD12 ' A' ' 131' ' ' LEU . 7.8 mt -103.21 128.48 50.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -125.31 112.72 16.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 110.982 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 111.033 179.956 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.7 mttp . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.443 ' CD ' HG23 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -130.57 145.71 51.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.634 ' OG1' HD22 ' A' ' 27' ' ' LEU . 10.2 t -104.91 158.17 16.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.357 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.505 ' CD1' ' C ' ' A' ' 80' ' ' ILE . 0.5 OUTLIER -132.48 118.31 19.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.348 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.985 HD13 HD11 ' A' ' 98' ' ' ILE . 16.6 mt -90.7 137.38 21.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.1 t -114.48 127.6 71.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.866 ' HB2' HG22 ' A' ' 78' ' ' ILE . 32.5 mt -110.97 104.51 13.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.427 ' N ' ' O ' ' A' ' 20' ' ' HIS . 1.0 OUTLIER -93.42 105.73 17.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 110.402 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.423 ' CG ' ' HA ' ' A' ' 74' ' ' PRO . 54.3 t-20 -76.33 105.23 7.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.612 HG22 ' O ' ' A' ' 18' ' ' LEU . 14.1 m -86.78 -39.77 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.607 HG23 ' HA ' ' A' ' 18' ' ' LEU . 1.5 p -50.51 162.82 0.21 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.402 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -89.69 24.64 2.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.42 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 36.2 m-80 -150.14 168.21 24.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.45 ' CG2' ' HB2' ' A' ' 71' ' ' SER . 52.3 mt -65.76 159.47 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.922 HG11 ' CB ' ' A' ' 19' ' ' LEU . 95.6 t -135.57 105.34 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.545 ' HB3' ' CE2' ' A' ' 117' ' ' PHE . . . -67.08 102.86 1.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.882 ' CE2' HD13 ' A' ' 78' ' ' ILE . 37.8 p90 -96.62 159.84 14.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.57 ' HE3' ' CD1' ' A' ' 118' ' ' TRP . 13.2 mttt -158.7 131.94 7.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.955 HG21 HG21 ' A' ' 80' ' ' ILE . 36.9 t -100.67 121.62 51.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.602 ' HB3' HD12 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -126.34 144.01 50.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.75 158.24 44.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.385 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 45.4 p -73.95 -8.04 54.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 110.352 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.553 ' HB1' ' HD3' ' A' ' 62' ' ' LYS . . . -152.34 74.14 7.46 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 0.31 9.04 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.544 1.813 . . . . 0.0 111.041 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -94.2 48.75 1.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.316 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.575 ' HA ' ' CD2' ' A' ' 85' ' ' HIS . 0.1 OUTLIER -173.51 -38.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 0.0 109.315 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.527 ' CZ ' ' HE3' ' A' ' 62' ' ' LYS . 52.2 m-85 -100.79 115.0 29.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -84.29 94.25 8.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 110.305 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.917 HG13 HG22 ' A' ' 82' ' ' VAL . 2.1 t -91.35 132.09 36.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.511 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.3 OUTLIER -163.44 132.99 3.09 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.778 ' HD2' HD13 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -75.03 142.89 76.07 Favored 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 120.991 -2.504 . . . . 0.0 111.018 0.064 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.6 p -112.73 28.26 8.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.975 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.404 ' O ' ' HB2' ' A' ' 70' ' ' SER . 6.5 p30 -179.82 106.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.604 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 31.2 t 175.44 -170.24 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.009 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.611 ' CB ' HG22 ' A' ' 109' ' ' THR . 0.5 OUTLIER -138.76 135.44 34.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.986 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 49.2 t -91.05 128.69 36.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 108.309 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -69.46 160.41 79.43 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.423 ' HA ' ' CG ' ' A' ' 45' ' ' ASN . 18.2 Cg_endo -74.98 143.27 28.93 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.475 1.776 . . . . 0.0 110.956 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.99 25.36 75.69 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -142.23 178.99 7.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 109.264 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.422 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 3.4 p -140.63 140.42 35.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.978 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.882 HD13 ' CE2' ' A' ' 53' ' ' PHE . 1.0 OUTLIER -104.57 172.06 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -132.06 123.96 28.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.955 HG21 HG21 ' A' ' 55' ' ' VAL . 2.0 mm -121.38 109.83 26.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.466 HD12 ' CD1' ' A' ' 40' ' ' LEU . 2.0 mp -83.55 146.82 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.917 HG22 HG13 ' A' ' 65' ' ' VAL . 36.2 t -139.91 97.73 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.43 128.11 26.23 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.992 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.522 ' HG3' HG12 ' A' ' 90' ' ' VAL . 18.4 Cg_endo -74.96 168.32 25.11 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.527 1.804 . . . . 0.0 111.036 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.575 ' CD2' ' HA ' ' A' ' 62' ' ' LYS . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.615 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 37.8 p . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.522 HG12 ' HG3' ' A' ' 84' ' ' PRO . 1.2 m -97.13 6.19 8.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.4 m 44.91 -164.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.019 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -128.04 -45.02 1.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -66.55 -14.3 62.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.425 ' OD1' ' CE2' ' A' ' 63' ' ' TYR . 0.9 OUTLIER -64.48 102.13 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.4 tpp85 -99.29 143.19 29.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.579 ' CZ ' HG11 ' A' ' 82' ' ' VAL . 22.1 m-85 -111.04 152.66 26.62 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.906 HD22 ' O ' ' A' ' 129' ' ' HIS . 2.1 tm? -135.4 144.05 46.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.985 HD11 HD13 ' A' ' 41' ' ' ILE . 5.6 mt -136.89 123.5 29.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.127 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.61 ' HE2' ' CZ3' ' A' ' 118' ' ' TRP . 3.4 mtp -97.06 157.67 15.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.624 ' HB3' ' CE ' ' A' ' 127' ' ' MET . . . -162.32 118.14 1.94 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.676 ' HB1' HG21 ' A' ' 121' ' ' VAL . . . -129.65 135.99 49.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.93 115.46 8.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.588 ' HG2' ' CZ ' ' A' ' 117' ' ' PHE . 0.0 OUTLIER -91.07 172.39 8.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.994 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.36 -145.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.333 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -107.2 -36.77 6.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.47 108.67 21.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.016 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.402 ' HA ' ' OE1' ' A' ' 113' ' ' GLU . 55.5 m -152.17 152.7 32.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.984 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -108.74 -3.98 32.07 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.131 . . . . 0.0 110.967 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.79 ' HA ' HD21 ' A' ' 114' ' ' LEU . 64.5 p 45.7 34.63 1.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 0.756 . . . . 0.0 110.366 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.983 ' O ' HD23 ' A' ' 114' ' ' LEU . . . -84.47 -169.14 45.25 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -25.33 12.04 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.52 1.8 . . . . 0.0 111.011 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.482 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -92.21 -63.05 1.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.482 ' C ' ' O ' ' A' ' 112' ' ' ALA . 3.3 mm-40 -32.33 -40.87 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.308 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.983 HD23 ' O ' ' A' ' 110' ' ' GLY . 3.6 mm? -71.38 -69.76 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.343 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 114' ' ' LEU . 0.2 OUTLIER -35.73 -33.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.018 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 114' ' ' LEU . 5.3 mm-40 -74.85 -58.55 3.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.891 ' O ' HG12 ' A' ' 121' ' ' VAL . 53.1 t80 -55.44 -32.4 62.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 111.029 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . 0.948 ' CZ3' HG21 ' A' ' 126' ' ' VAL . 79.2 m95 -74.79 -16.31 60.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 107.993 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.65 -22.41 21.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.464 ' CG ' ' N ' ' A' ' 121' ' ' VAL . 0.5 OUTLIER -98.34 -45.07 6.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 110.297 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.891 HG12 ' O ' ' A' ' 117' ' ' PHE . 9.6 p -72.26 120.53 80.91 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.43 1.081 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.653 ' O ' HG12 ' A' ' 126' ' ' VAL . 18.2 Cg_endo -75.05 168.54 24.58 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.431 1.753 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.532 ' C ' ' CD ' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -78.36 1.71 21.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 110.296 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . 0.483 ' N ' ' HD2' ' A' ' 123' ' ' ARG . 1.1 t-20 -102.48 -10.15 19.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.528 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 32.8 mmtt -106.65 -26.78 11.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.948 HG21 ' CZ3' ' A' ' 118' ' ' TRP . 7.4 p -92.22 136.69 23.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . 0.624 ' CE ' ' HB3' ' A' ' 100' ' ' ALA . 35.8 ttp -79.98 143.16 34.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 111.043 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -123.6 116.72 23.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . 0.906 ' O ' HD22 ' A' ' 97' ' ' LEU . 79.2 t60 -115.32 140.11 49.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 109.596 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.682 ' HD2' HD23 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -116.84 122.28 43.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 110.265 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.681 HD12 ' HG ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -93.37 146.52 23.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 5.7 ptp180 -128.45 137.96 52.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 20.1 p -73.65 155.03 39.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 108.274 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 1.8 t60 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.568 179.977 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.609 HG22 ' HE3' ' A' ' 15' ' ' LYS . 0.8 OUTLIER -122.87 141.36 43.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -80.26 95.79 6.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.609 ' HE3' HG22 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -53.04 98.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.463 ' H ' ' CD2' ' A' ' 20' ' ' HIS . . . -87.65 157.36 28.68 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.545 1.153 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.416 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.6 Cg_endo -74.95 -18.89 18.48 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.496 1.787 . . . . 0.0 111.031 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.538 ' HA ' HG23 ' A' ' 47' ' ' THR . 3.9 mt -123.52 -76.41 0.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.691 ' HB2' HG11 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -108.65 132.7 53.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.363 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.607 ' CE1' ' HG3' ' A' ' 15' ' ' LYS . 18.1 m170 -78.42 157.65 28.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.64 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.979 HG21 ' CD2' ' A' ' 129' ' ' HIS . 3.6 mm -125.79 146.12 32.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.42 ' HA ' ' C ' ' A' ' 23' ' ' PRO . 1.5 t -158.08 127.37 3.15 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.938 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.42 ' C ' ' HA ' ' A' ' 22' ' ' SER . 18.2 Cg_endo -75.04 -172.8 11.28 Favored 'Cis proline' 0 C--N 1.361 1.194 0 C-N-CA 121.008 -2.497 . . . . 0.0 110.981 0.001 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.41 -96.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.522 ' O ' ' CG ' ' A' ' 132' ' ' ARG . 0.7 OUTLIER -122.38 54.19 1.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.291 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.444 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 0.9 OUTLIER -163.82 103.28 0.9 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.322 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.705 HD22 ' OG1' ' A' ' 39' ' ' THR . 10.7 mt -97.63 137.45 36.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 0.0 109.256 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -130.0 91.95 3.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.645 ' CG ' HG11 ' A' ' 90' ' ' VAL . 25.1 m-85 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.122 . . . . 0.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.45 ' HD2' ' CG2' ' A' ' 81' ' ' ILE . 30.6 pttt -108.1 148.16 30.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.705 ' OG1' HD22 ' A' ' 27' ' ' LEU . 8.9 t -96.55 145.24 25.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.411 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.577 HD12 ' N ' ' A' ' 41' ' ' ILE . 0.7 OUTLIER -118.98 120.2 36.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.242 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.889 HD13 HD11 ' A' ' 98' ' ' ILE . 15.3 mt -91.16 127.51 43.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.45 HG13 ' OD1' ' A' ' 79' ' ' ASP . 2.0 t -106.54 141.8 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.73 HD12 ' CG2' ' A' ' 78' ' ' ILE . 2.4 mt -133.66 110.88 10.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.9 m -97.81 106.79 19.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.452 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.428 ' OD1' ' OG1' ' A' ' 47' ' ' THR . 52.5 t30 -72.73 100.66 2.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.567 HG11 ' NE2' ' A' ' 20' ' ' HIS . 12.4 m -75.28 -38.89 41.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.564 1.165 . . . . 0.0 109.344 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.538 HG23 ' HA ' ' A' ' 18' ' ' LEU . 2.6 p -53.89 153.18 4.93 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.49 1.119 . . . . 0.0 110.406 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.85 22.84 3.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.445 ' HB2' ' CD ' ' A' ' 102' ' ' GLU . 76.3 m-20 -137.18 159.55 41.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 27.4 mt -59.96 145.43 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.691 HG11 ' HB2' ' A' ' 19' ' ' LEU . 75.9 t -136.79 118.6 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.446 ' HB3' ' HE2' ' A' ' 117' ' ' PHE . . . -88.47 120.6 30.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.805 ' HE2' HD13 ' A' ' 78' ' ' ILE . 20.9 p90 -115.3 156.85 24.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.15 . . . . 0.0 111.036 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.581 ' HG3' ' CZ2' ' A' ' 118' ' ' TRP . 8.2 mttm -144.57 119.53 9.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.256 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.463 HG12 HG11 ' A' ' 65' ' ' VAL . 21.5 t -97.8 119.63 46.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.408 ' HD3' HD12 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -127.38 172.08 10.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.577 HG23 ' H ' ' A' ' 59' ' ' ALA . 6.5 t -153.71 170.73 20.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 110.42 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.0 p -87.25 18.73 3.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.402 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.839 ' HB1' ' HD3' ' A' ' 62' ' ' LYS . . . -170.88 72.98 0.55 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -12.94 21.47 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.478 1.778 . . . . 0.0 111.007 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -91.72 18.81 7.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.282 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.839 ' HD3' ' HB1' ' A' ' 59' ' ' ALA . 1.0 OUTLIER -137.12 -47.75 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.103 . . . . 0.0 109.341 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -102.35 119.67 39.21 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.84 103.17 8.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 110.255 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.593 HG13 HG22 ' A' ' 82' ' ' VAL . 2.9 t -100.2 124.44 53.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.52 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -163.67 133.9 3.28 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 109.308 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.52 ' C ' ' HA ' ' A' ' 66' ' ' LYS . 18.3 Cg_endo -74.99 133.76 32.89 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 120.967 -2.514 . . . . 0.0 111.016 -0.002 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.423 ' N ' ' HA ' ' A' ' 66' ' ' LYS . 82.9 p -112.57 43.85 1.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.962 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.4 p30 164.89 69.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.409 ' O ' ' O ' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -151.48 -165.0 2.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.988 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.632 ' OG ' HD21 ' A' ' 114' ' ' LEU . 5.5 m -138.82 172.34 13.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.031 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.545 ' HB3' HD21 ' A' ' 19' ' ' LEU . 35.0 t -133.17 116.21 15.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 108.277 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -55.47 162.7 2.19 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 109.285 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 136.52 20.52 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.494 1.786 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.43 16.56 73.43 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -131.15 -178.95 5.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 109.335 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 2.7 p -145.28 136.89 25.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 110.032 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.805 HD13 ' HE2' ' A' ' 53' ' ' PHE . 1.5 tt -106.19 159.87 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.768 ' C ' HD12 ' A' ' 80' ' ' ILE . 32.7 m-20 -131.73 118.2 19.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.263 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.768 HD12 ' C ' ' A' ' 79' ' ' ASP . 1.2 mp -105.4 118.9 53.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.257 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.45 ' CG2' ' HD2' ' A' ' 38' ' ' LYS . 2.0 mp -82.37 145.97 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.621 HG11 ' CZ ' ' A' ' 96' ' ' PHE . 47.0 t -140.53 98.27 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.16 134.91 24.1 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.004 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 167.01 27.97 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.51 1.795 . . . . 0.0 111.008 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.56 ' CD2' ' HA ' ' A' ' 62' ' ' LYS . 1.2 m-70 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.657 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.42 ' OG1' ' N ' ' A' ' 90' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.645 HG11 ' CG ' ' A' ' 29' ' ' PHE . 7.5 p -87.17 128.71 39.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.1 m -127.71 -176.91 3.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.041 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -95.21 37.18 1.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -110.67 -33.06 6.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.335 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.03 154.21 18.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.291 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.449 ' HG3' ' N ' ' A' ' 96' ' ' PHE . 0.0 OUTLIER -127.37 142.21 51.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.315 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.621 ' CZ ' HG11 ' A' ' 82' ' ' VAL . 55.5 m-85 -105.48 153.98 20.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.805 HD23 ' HD2' ' A' ' 130' ' ' ARG . 2.4 tm? -134.39 145.56 49.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.889 HD11 HD13 ' A' ' 41' ' ' ILE . 3.6 mt -136.83 126.88 39.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.305 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.648 ' HE3' ' CH2' ' A' ' 118' ' ' TRP . 16.4 mtm -107.3 155.24 20.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.041 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -162.63 119.08 1.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.742 ' HB2' HG23 ' A' ' 126' ' ' VAL . . . -133.75 136.15 44.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.509 ' OE1' ' N ' ' A' ' 103' ' ' MET . 0.7 OUTLIER -70.83 124.22 23.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.289 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.569 ' HG2' ' CZ ' ' A' ' 117' ' ' PHE . 0.0 OUTLIER -94.71 171.96 8.47 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.134 . . . . 0.0 111.001 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -61.85 -157.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -74.85 -99.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 110.303 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.2 m -87.53 106.54 18.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.987 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.6 m -143.51 132.63 23.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.966 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -65.38 144.97 48.28 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 30.7 p -94.7 28.3 2.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 0.778 . . . . 0.0 110.415 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -71.87 -179.83 33.31 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.453 1.096 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -12.89 21.62 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.492 1.785 . . . . 0.0 111.04 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -91.72 -70.86 0.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.259 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 112' ' ' ALA . 2.9 mm-40 -38.43 -46.47 1.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.334 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.632 HD21 ' OG ' ' A' ' 71' ' ' SER . 82.4 mt -60.55 -62.99 1.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 109.293 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.467 ' O ' ' CG ' ' A' ' 119' ' ' LYS . 0.6 OUTLIER -44.75 -39.95 5.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 110.013 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.526 ' HA ' ' CG ' ' A' ' 119' ' ' LYS . 1.8 mt-30 -68.04 -35.6 78.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.72 ' O ' HG12 ' A' ' 121' ' ' VAL . 20.5 t80 -82.53 -23.93 34.32 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.115 . . . . 0.0 111.034 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . 0.885 ' HZ3' HG21 ' A' ' 126' ' ' VAL . 63.3 m95 -85.86 -29.01 24.05 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.526 ' CG ' ' HA ' ' A' ' 116' ' ' GLN . 0.0 OUTLIER -82.5 -16.88 47.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 0.0 109.309 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -100.28 -44.22 6.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.72 HG12 ' O ' ' A' ' 117' ' ' PHE . 7.1 p -69.6 120.04 74.81 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.554 ' O ' HG12 ' A' ' 126' ' ' VAL . 18.3 Cg_endo -74.98 167.22 27.53 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.548 ' HA ' HG12 ' A' ' 126' ' ' VAL . 0.0 OUTLIER -76.97 1.16 18.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.342 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -102.63 -10.03 19.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.527 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 33.3 mmtt -107.01 -29.68 9.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.885 HG21 ' HZ3' ' A' ' 118' ' ' TRP . 8.9 p -87.76 136.48 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . 0.456 ' O ' ' HA ' ' A' ' 99' ' ' MET . 62.4 ttp -81.11 152.21 27.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.49 ' HB3' HD21 ' A' ' 97' ' ' LEU . 49.8 mt-10 -134.09 131.12 38.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . 0.979 ' CD2' HG21 ' A' ' 21' ' ' ILE . 58.1 t60 -132.54 117.13 17.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.613 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.805 ' HD2' HD23 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -96.41 124.2 40.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.567 HD12 ' HG ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -92.74 155.3 17.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.522 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -126.49 144.45 50.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' CYS . . . . . 0.632 ' SG ' HG22 ' A' ' 90' ' ' VAL . 13.2 t -90.2 129.03 36.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 108.269 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.589 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.9 m . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -133.31 145.76 33.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.501 ' CD1' ' CE1' ' A' ' 129' ' ' HIS . 75.4 t80 -73.47 98.02 2.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 111.051 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.596 ' HA ' ' CG ' ' A' ' 20' ' ' HIS . 0.1 OUTLIER -67.85 62.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 14' ' ' PHE . . . -43.83 162.61 0.05 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.538 1.149 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -18.58 18.64 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.471 1.774 . . . . 0.0 110.962 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.756 ' O ' HG22 ' A' ' 46' ' ' VAL . 0.3 OUTLIER -127.8 -63.43 1.02 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.987 HD11 HD22 ' A' ' 43' ' ' LEU . 0.9 OUTLIER -113.95 128.22 56.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.787 ' N ' HD22 ' A' ' 19' ' ' LEU . 31.6 m170 -85.43 130.56 34.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.57 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.725 HD12 ' HB3' ' A' ' 129' ' ' HIS . 2.3 mt -102.48 147.57 8.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.137 . . . . 0.0 109.364 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.436 ' HA ' ' C ' ' A' ' 23' ' ' PRO . 0.9 OUTLIER -146.69 128.08 7.35 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.001 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.436 ' C ' ' HA ' ' A' ' 22' ' ' SER . 18.2 Cg_endo -74.99 -178.16 22.64 Favored 'Cis proline' 0 C--N 1.36 1.182 0 C-N-CA 120.963 -2.516 . . . . 0.0 110.977 -0.008 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.443 ' O ' ' NE2' ' A' ' 129' ' ' HIS . . . -64.21 -75.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.874 ' HA ' HD23 ' A' ' 131' ' ' LEU . 3.6 pt-20 -146.55 61.07 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.308 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.445 ' CG ' ' C ' ' A' ' 25' ' ' GLU . 8.1 mt-10 -154.2 102.43 2.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 1.092 HD22 HD22 ' A' ' 131' ' ' LEU . 0.2 OUTLIER -104.15 110.42 22.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -96.49 93.42 6.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 111.003 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.565 ' CE2' ' HB3' ' A' ' 27' ' ' LEU . 88.1 m-85 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 111.038 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.4 mttt . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.495 ' HD3' HG23 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -116.69 139.94 49.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 109.316 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.597 HG21 HD12 ' A' ' 27' ' ' LEU . 10.1 t -100.96 157.92 16.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.405 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.7 HD11 ' HB3' ' A' ' 79' ' ' ASP . 3.4 tp -132.08 119.62 21.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.264 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.584 ' N ' HD12 ' A' ' 40' ' ' LEU . 30.6 mt -89.24 161.84 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.449 ' N ' ' CG2' ' A' ' 41' ' ' ILE . 2.1 t -135.6 131.81 51.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.987 HD22 HD11 ' A' ' 19' ' ' LEU . 42.1 mt -112.76 107.08 15.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.3 m -92.32 110.94 22.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.457 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' A' ' 73' ' ' ASP . 33.1 t-20 -76.43 97.87 4.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.756 HG22 ' O ' ' A' ' 18' ' ' LEU . 33.8 m -80.5 -26.8 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.514 HG23 ' HA ' ' A' ' 18' ' ' LEU . 2.0 p -68.92 163.17 25.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.381 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.9 tptt -92.25 29.77 1.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 56.7 m-80 -155.23 157.32 37.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.736 HG22 ' OG ' ' A' ' 71' ' ' SER . 15.4 mt -58.47 146.36 8.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.352 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.936 HG11 ' HB2' ' A' ' 19' ' ' LEU . 73.0 t -120.96 106.11 17.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.787 ' HB3' ' HE2' ' A' ' 117' ' ' PHE . . . -72.57 104.74 3.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.539 ' CZ ' ' HB3' ' A' ' 70' ' ' SER . 43.0 p90 -104.54 162.72 13.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.983 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.56 ' HE3' ' CD1' ' A' ' 118' ' ' TRP . 13.5 mttm -150.86 133.29 15.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.973 HG21 HG21 ' A' ' 80' ' ' ILE . 65.2 t -96.53 123.12 48.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.98 131.72 39.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.255 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.435 HG23 ' H ' ' A' ' 59' ' ' ALA . 4.7 t -128.92 169.51 14.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.403 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 23.9 p -89.55 24.05 2.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.426 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.852 ' HB1' ' HD3' ' A' ' 62' ' ' LYS . . . -173.52 73.99 0.38 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -3.13 13.47 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.507 1.793 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -107.98 22.36 16.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.291 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.852 ' HD3' ' HB1' ' A' ' 59' ' ' ALA . 1.4 mtpm? -137.94 -46.48 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.62 ' CE2' ' CG ' ' A' ' 94' ' ' ASP . 27.2 m-85 -104.05 136.38 43.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -97.53 116.47 29.79 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.452 1.095 . . . . 0.0 110.261 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.49 ' O ' ' CG2' ' A' ' 65' ' ' VAL . 0.7 OUTLIER -117.59 116.32 51.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.341 179.929 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.438 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.0 OUTLIER -150.27 126.55 5.16 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.709 ' O ' HG23 ' A' ' 80' ' ' ILE . 18.2 Cg_endo -75.02 157.12 99.8 Favored 'Cis proline' 0 C--N 1.359 1.113 0 C-N-CA 121.013 -2.495 . . . . 0.0 110.976 0.05 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.444 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 54.3 p -113.19 -24.27 9.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.946 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -135.7 97.15 3.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.539 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 5.7 t -162.4 -179.56 7.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.983 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.736 ' OG ' HG22 ' A' ' 50' ' ' ILE . 1.5 t -129.57 154.77 46.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.022 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 44.5 t -115.19 133.72 55.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 108.275 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.532 ' OD2' ' CB ' ' A' ' 76' ' ' ALA . 0.4 OUTLIER -72.27 162.81 71.83 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.427 ' HA ' ' CG ' ' A' ' 45' ' ' ASN . 18.4 Cg_endo -75.02 135.7 19.37 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.501 1.79 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.82 13.96 83.06 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.545 1.153 . . . . 0.0 110.968 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.532 ' CB ' ' OD2' ' A' ' 73' ' ' ASP . . . -123.85 -178.98 4.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 4.0 p -144.43 138.18 27.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.987 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.852 HG22 ' HB2' ' A' ' 43' ' ' LEU . 0.9 OUTLIER -104.44 170.22 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.7 ' HB3' HD11 ' A' ' 40' ' ' LEU . 7.0 m-20 -131.05 122.59 27.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.973 HG21 HG21 ' A' ' 55' ' ' VAL . 5.2 mm -116.71 97.32 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.248 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.495 HG23 ' HD3' ' A' ' 38' ' ' LYS . 3.1 mp -73.84 120.23 22.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.642 ' CG1' ' CZ ' ' A' ' 96' ' ' PHE . 61.8 t -111.62 97.33 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.585 1.178 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.29 126.79 28.2 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 110.014 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.418 ' HA ' ' HA ' ' A' ' 63' ' ' TYR . 18.3 Cg_endo -75.02 179.7 5.84 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.524 1.802 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.402 ' O ' ' O ' ' A' ' 84' ' ' PRO . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.603 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.449 ' OG1' ' N ' ' A' ' 90' ' ' VAL . 2.1 t . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.441 -0.207 . . . . 0.0 110.441 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.451 ' CG2' ' SG ' ' A' ' 133' ' ' CYS . 3.5 m -100.91 -2.12 9.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 90' ' ' VAL . 2.2 m 38.41 -149.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.981 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -135.43 24.35 3.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -111.26 -28.4 8.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.62 ' CG ' ' CE2' ' A' ' 63' ' ' TYR . 0.6 OUTLIER -68.26 147.11 52.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.6 tpp180 -135.06 142.28 46.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.079 . . . . 0.0 110.326 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.642 ' CZ ' ' CG1' ' A' ' 82' ' ' VAL . 20.3 m-85 -109.68 112.8 25.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.689 HD12 ' O ' ' A' ' 129' ' ' HIS . 18.7 tp -100.05 137.87 37.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.753 ' CD1' HD12 ' A' ' 131' ' ' LEU . 3.9 mt -132.39 118.52 35.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.694 ' HE3' ' CH2' ' A' ' 118' ' ' TRP . 30.7 mtm -89.86 161.05 16.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 0.0 111.03 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.584 ' HB3' ' CE ' ' A' ' 127' ' ' MET . . . -163.82 117.27 1.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.67 ' HB2' HG23 ' A' ' 126' ' ' VAL . . . -126.88 133.18 50.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.512 ' HG3' HG21 ' A' ' 47' ' ' THR . 0.9 OUTLIER -69.41 111.18 5.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 110.288 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.587 ' HG2' ' CZ ' ' A' ' 117' ' ' PHE . 0.0 OUTLIER -85.66 171.71 11.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 111.009 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -70.46 -142.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 110.353 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -75.59 -156.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 10.8 m -55.24 110.96 0.76 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.028 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.539 ' O ' HG23 ' A' ' 109' ' ' THR . 0.6 OUTLIER -111.81 157.97 19.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 110.011 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 109' ' ' THR . . . -58.48 -16.36 28.53 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.56 1.163 . . . . 0.0 111.031 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.539 HG23 ' O ' ' A' ' 107' ' ' SER . 40.4 p 36.98 50.99 0.94 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 0.777 . . . . 0.0 110.391 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.458 ' O ' HD12 ' A' ' 114' ' ' LEU . . . -115.48 -169.89 15.94 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.488 1.118 . . . . 0.0 111.021 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -16.37 20.05 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.529 1.805 . . . . 0.0 110.998 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -92.0 -72.88 0.57 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -38.64 -45.03 1.04 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.458 HD12 ' O ' ' A' ' 110' ' ' GLY . 95.1 mt -62.24 -65.02 0.75 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -38.03 -32.59 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 110.065 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.422 ' N ' ' C ' ' A' ' 114' ' ' LEU . 5.0 mm-40 -76.86 -56.79 4.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.866 ' O ' HG12 ' A' ' 121' ' ' VAL . 38.8 t80 -54.8 -35.3 63.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . 0.87 ' HZ3' HG21 ' A' ' 126' ' ' VAL . 70.5 m95 -72.98 -17.05 61.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 108.024 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.34 -23.09 19.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.421 ' CG ' ' N ' ' A' ' 121' ' ' VAL . 1.0 OUTLIER -95.6 -43.54 7.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 110.309 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.866 HG12 ' O ' ' A' ' 117' ' ' PHE . 9.1 p -71.17 118.57 67.03 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.59 ' O ' HG12 ' A' ' 126' ' ' VAL . 18.4 Cg_endo -74.94 168.87 23.87 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.493 1.786 . . . . 0.0 111.034 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.538 ' HA ' HG12 ' A' ' 126' ' ' VAL . 0.0 OUTLIER -76.8 1.51 17.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.288 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -102.13 -12.35 18.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.511 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 27.1 mmtt -104.67 -30.4 9.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.87 HG21 ' HZ3' ' A' ' 118' ' ' TRP . 8.0 p -87.16 132.62 32.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . 0.584 ' CE ' ' HB3' ' A' ' 100' ' ' ALA . 17.4 tmm? -79.63 140.31 37.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.457 ' HB3' HD11 ' A' ' 97' ' ' LEU . 39.5 mt-10 -122.19 121.98 38.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . 0.725 ' HB3' HD12 ' A' ' 21' ' ' ILE . 43.4 t60 -121.43 133.48 55.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.636 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 2.6 mpp_? -108.77 133.94 52.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 1.092 HD22 HD22 ' A' ' 27' ' ' LEU . 0.7 OUTLIER -106.34 162.41 13.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.247 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.472 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 0.7 OUTLIER -130.46 152.57 49.7 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 110.261 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' CYS . . . . . 0.451 ' SG ' ' CG2' ' A' ' 90' ' ' VAL . 6.3 t -85.66 126.32 33.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.133 . . . . 0.0 108.295 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.604 179.984 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 43.1 t -131.77 126.96 58.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -73.99 95.45 2.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.582 ' HD3' ' CE1' ' A' ' 20' ' ' HIS . 2.5 mmtp -66.71 82.91 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.633 ' N ' ' CD2' ' A' ' 20' ' ' HIS . . . -70.36 163.84 52.72 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.409 ' O ' HD23 ' A' ' 18' ' ' LEU . 18.4 Cg_endo -75.02 -17.22 19.67 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.53 1.805 . . . . 0.0 110.977 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.555 ' HA ' HG23 ' A' ' 47' ' ' THR . 2.6 mt -125.36 -76.47 0.59 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.58 ' HB2' HG11 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -111.94 123.87 51.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.256 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.633 ' CD2' ' N ' ' A' ' 16' ' ' GLY . 40.0 m170 -74.95 159.01 32.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.645 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.597 HG21 ' HD2' ' A' ' 129' ' ' HIS . 1.2 mm -120.38 131.46 72.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.487 ' HA ' ' HA ' ' A' ' 23' ' ' PRO . 1.2 t -136.93 119.31 11.5 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.954 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.487 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 18.2 Cg_endo -75.0 -161.56 2.52 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 120.982 -2.508 . . . . 0.0 111.026 -0.058 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.75 -96.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.465 ' O ' ' CG ' ' A' ' 132' ' ' ARG . 4.4 mt-10 -124.16 62.64 1.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.406 ' O ' ' HG2' ' A' ' 23' ' ' PRO . 0.0 OUTLIER -162.44 102.72 1.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.297 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.635 ' CD2' HG21 ' A' ' 39' ' ' THR . 2.7 tp -100.11 124.45 45.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.152 . . . . 0.0 109.335 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -118.97 95.93 5.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.402 ' CG ' HG21 ' A' ' 90' ' ' VAL . 37.1 m-85 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 111.034 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.3 mtpt . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.431 ' CB ' ' HB2' ' A' ' 83' ' ' SER . 0.0 OUTLIER -115.67 145.63 42.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.635 HG21 ' CD2' ' A' ' 27' ' ' LEU . 10.0 t -103.96 136.42 43.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 110.418 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.681 HD12 ' N ' ' A' ' 41' ' ' ILE . 0.4 OUTLIER -112.59 117.75 33.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.923 HD13 HD11 ' A' ' 98' ' ' ILE . 16.7 mt -93.3 146.41 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.813 ' C ' HD13 ' A' ' 43' ' ' LEU . 1.8 t -131.74 140.17 48.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.907 HD23 ' CG2' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -123.49 147.24 47.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.405 ' C ' HD13 ' A' ' 19' ' ' LEU . 9.7 m -116.97 110.77 18.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.434 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.432 ' CG ' ' HA ' ' A' ' 74' ' ' PRO . 45.6 t-20 -75.16 86.01 2.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.618 HG11 ' CE1' ' A' ' 20' ' ' HIS . 17.0 m -71.0 -28.61 33.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.555 HG23 ' HA ' ' A' ' 18' ' ' LEU . 2.8 p -66.16 158.41 28.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.375 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.36 28.11 3.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -148.68 143.91 26.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.564 HD12 ' HB2' ' A' ' 107' ' ' SER . 16.0 mt -44.99 145.51 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.58 HG11 ' HB2' ' A' ' 19' ' ' LEU . 94.9 t -128.3 122.9 58.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.522 ' O ' ' CZ2' ' A' ' 118' ' ' TRP . . . -90.02 109.53 20.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.583 ' CE1' HD13 ' A' ' 78' ' ' ILE . 51.9 p90 -102.9 160.68 14.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 111.035 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.58 ' HE3' ' CD1' ' A' ' 118' ' ' TRP . 29.8 mttm -152.29 131.08 12.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 1.044 HG21 HG21 ' A' ' 80' ' ' ILE . 46.3 t -102.03 137.62 29.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.1 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.578 ' HG3' HD23 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -145.62 166.41 25.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.349 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.427 ' OG1' ' N ' ' A' ' 58' ' ' THR . 0.4 OUTLIER -160.76 170.93 19.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.393 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.427 ' N ' ' OG1' ' A' ' 57' ' ' THR . 54.4 p -81.11 5.76 15.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.375 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.878 ' HB1' ' HD3' ' A' ' 62' ' ' LYS . . . -155.76 74.8 5.12 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -21.41 15.89 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.495 1.787 . . . . 0.0 110.959 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -90.27 29.07 1.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.102 . . . . 0.0 110.33 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.878 ' HD3' ' HB1' ' A' ' 59' ' ' ALA . 1.8 mtpm? -141.27 -46.32 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.414 ' CE2' ' HB3' ' A' ' 59' ' ' ALA . 26.2 m-85 -105.82 122.81 46.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 111.035 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -88.96 107.13 18.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 1.015 HG11 HG11 ' A' ' 55' ' ' VAL . 3.3 t -102.31 137.2 31.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.498 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.0 OUTLIER -163.3 132.35 2.99 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.723 ' HD2' HD13 ' A' ' 80' ' ' ILE . 18.2 Cg_endo -75.05 142.31 74.31 Favored 'Cis proline' 0 C--N 1.36 1.184 0 C-N-CA 120.967 -2.514 . . . . 0.0 110.993 0.042 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.428 ' HB3' ' O ' ' A' ' 65' ' ' VAL . 6.9 p -113.36 26.58 10.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.968 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 176.33 82.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.3 -179.64 7.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 109.986 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.422 ' HA ' ' O ' ' A' ' 51' ' ' VAL . 97.6 p -126.6 160.98 29.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.01 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.428 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 27.6 t -120.86 139.97 52.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 108.301 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -72.39 160.09 83.69 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.432 ' HA ' ' CG ' ' A' ' 45' ' ' ASN . 18.5 Cg_endo -74.92 125.25 9.24 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.525 1.803 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.47 34.47 16.54 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.423 1.077 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -143.23 178.22 7.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 0.733 . . . . 0.0 109.327 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.428 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 1.8 p -136.77 134.43 37.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.005 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.907 ' CG2' HD23 ' A' ' 43' ' ' LEU . 1.2 tt -105.04 169.79 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.415 ' OD1' HG22 ' A' ' 42' ' ' VAL . 1.6 m-20 -130.43 129.83 43.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 1.044 HG21 HG21 ' A' ' 55' ' ' VAL . 1.3 mm -122.96 103.03 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.2 mp -74.82 145.94 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.748 ' CG2' HG13 ' A' ' 65' ' ' VAL . 5.2 t -140.21 105.21 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.431 ' HB2' ' CB ' ' A' ' 38' ' ' LYS . 23.2 t -127.35 143.82 48.59 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.982 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 176.66 9.62 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.57 1.826 . . . . 0.0 110.965 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.555 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.446 ' OG1' ' N ' ' A' ' 90' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.446 ' N ' ' OG1' ' A' ' 89' ' ' THR . 94.3 t -75.4 115.21 16.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.94 -161.33 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.002 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -117.03 -45.69 2.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 109.266 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -68.74 -9.57 51.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.291 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.2 p30 -68.01 118.06 10.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.425 ' HG3' ' N ' ' A' ' 96' ' ' PHE . 5.4 tpp180 -117.87 144.8 45.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.318 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.518 ' CZ ' HG11 ' A' ' 82' ' ' VAL . 24.0 m-85 -110.94 154.07 24.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 111.044 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.578 HD23 ' HG3' ' A' ' 56' ' ' ARG . 19.1 tp -137.69 138.21 39.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.923 HD11 HD13 ' A' ' 41' ' ' ILE . 3.3 mt -128.5 118.92 48.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.695 ' HE3' ' CZ3' ' A' ' 118' ' ' TRP . 20.7 mtm -96.98 157.11 16.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 110.98 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.497 ' HB1' ' HB2' ' A' ' 19' ' ' LEU . . . -162.2 117.59 1.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 0.0 109.276 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.927 ' HB2' HG23 ' A' ' 126' ' ' VAL . . . -126.82 135.93 51.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.422 ' HG3' HG21 ' A' ' 47' ' ' THR . 2.6 tt0 -74.84 122.51 23.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.293 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.545 ' HG2' ' CE1' ' A' ' 117' ' ' PHE . 17.7 mtp -92.54 170.8 9.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.962 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -73.25 -145.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -85.62 -80.21 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.357 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.4 m -70.69 117.31 12.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.008 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.564 ' HB2' HD12 ' A' ' 50' ' ' ILE . 18.9 m -141.98 118.96 11.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 110.02 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -66.15 -15.29 62.84 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.452 1.095 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.517 HG21 HD13 ' A' ' 50' ' ' ILE . 46.2 p 40.83 52.07 3.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 110.408 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -120.86 -169.0 13.71 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.431 1.082 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -17.86 19.33 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.541 1.811 . . . . 0.0 111.006 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -91.74 -72.41 0.59 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 112' ' ' ALA . 3.1 mm-40 -38.15 -45.9 0.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 110.259 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 76.5 mt -61.43 -65.4 0.7 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -38.47 -38.93 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.991 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -74.82 -53.44 9.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.851 ' O ' HG12 ' A' ' 121' ' ' VAL . 89.8 t80 -56.23 -35.8 67.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 110.95 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . 0.874 ' CZ3' HG21 ' A' ' 126' ' ' VAL . 68.7 m95 -73.64 -16.98 61.21 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.39 -22.74 18.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -95.1 -40.81 9.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.851 HG12 ' O ' ' A' ' 117' ' ' PHE . 7.6 p -73.23 118.93 72.84 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.54 ' O ' HG12 ' A' ' 126' ' ' VAL . 18.4 Cg_endo -74.96 170.21 20.91 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.459 1.768 . . . . 0.0 111.033 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.59 ' HA ' HG12 ' A' ' 126' ' ' VAL . 0.0 OUTLIER -77.45 1.01 20.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.276 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . 0.486 ' N ' ' HD2' ' A' ' 123' ' ' ARG . 38.8 t30 -99.91 -17.43 17.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.496 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 25.5 mmtt -100.37 -28.78 12.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.927 HG23 ' HB2' ' A' ' 101' ' ' ALA . 12.2 p -93.3 136.86 23.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . 0.463 ' CE ' ' O ' ' A' ' 19' ' ' LEU . 64.4 ttp -81.37 154.76 26.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.972 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.492 ' HB3' HD11 ' A' ' 97' ' ' LEU . 27.8 mt-10 -141.06 117.17 10.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . 0.597 ' HD2' HG21 ' A' ' 21' ' ' ILE . 55.7 t60 -120.72 124.97 46.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.619 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.487 ' HG3' HD13 ' A' ' 97' ' ' LEU . 3.6 mpp_? -97.85 123.25 41.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.736 HD12 ' CD1' ' A' ' 98' ' ' ILE . 0.3 OUTLIER -94.72 157.81 15.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.465 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 0.2 OUTLIER -123.34 149.01 45.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.27 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 90.0 m -94.21 123.13 37.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 108.29 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.587 179.999 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.838 HG13 ' O ' ' A' ' 21' ' ' ILE . 71.3 t -136.05 127.4 43.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.752 ' CG ' ' CE1' ' A' ' 129' ' ' HIS . 68.0 t80 -73.86 95.46 2.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 111.024 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.581 ' HD3' ' CE1' ' A' ' 20' ' ' HIS . 23.3 mmtp -65.41 114.23 4.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.504 ' H ' ' CD2' ' A' ' 20' ' ' HIS . . . -99.06 160.25 20.06 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.492 1.12 . . . . 0.0 110.965 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.427 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.3 Cg_endo -75.09 -14.85 20.82 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.473 1.775 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.568 ' HA ' HG23 ' A' ' 47' ' ' THR . 2.8 mt -125.94 -75.79 0.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.624 HD21 ' HB3' ' A' ' 72' ' ' CYS . 0.0 OUTLIER -108.01 139.14 43.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.1 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.649 ' NE2' HG11 ' A' ' 46' ' ' VAL . 17.1 m170 -86.88 156.89 19.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.568 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.838 ' O ' HG13 ' A' ' 13' ' ' VAL . 2.9 mm -124.58 144.61 33.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.425 ' O ' ' HA ' ' A' ' 41' ' ' ILE . 6.7 t -155.41 127.35 3.85 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.022 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.425 ' C ' ' HA ' ' A' ' 22' ' ' SER . 18.2 Cg_endo -75.01 -176.69 18.6 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 120.953 -2.52 . . . . 0.0 110.994 -0.011 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.93 -93.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.436 ' HA ' HD23 ' A' ' 131' ' ' LEU . 3.5 pt-20 -132.7 60.57 1.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 110.283 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 23' ' ' PRO . 2.2 pt-20 -163.11 103.8 0.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.734 ' HG ' HD22 ' A' ' 131' ' ' LEU . 33.8 mt -99.5 142.95 30.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.452 ' CE1' ' HB3' ' A' ' 134' ' ' HIS . 2.1 m-85 -132.56 97.84 4.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 179.989 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.5 mtmt . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.694 ' HD2' HG23 ' A' ' 81' ' ' ILE . 0.3 OUTLIER -130.25 141.14 50.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.355 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.531 HG21 HD22 ' A' ' 27' ' ' LEU . 9.2 t -108.92 144.81 36.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.386 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.863 HD12 ' N ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -118.52 117.1 28.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.972 HD13 HD11 ' A' ' 98' ' ' ILE . 72.4 mt -91.3 135.34 27.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.6 t -107.57 142.07 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.845 ' HB2' HG22 ' A' ' 78' ' ' ILE . 18.4 mt -127.37 106.48 9.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -97.99 108.04 20.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.393 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.545 ' OD1' HD22 ' A' ' 19' ' ' LEU . 29.5 t30 -76.24 113.35 13.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.649 HG11 ' NE2' ' A' ' 20' ' ' HIS . 22.3 m -89.45 -30.47 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.568 HG23 ' HA ' ' A' ' 18' ' ' LEU . 1.0 OUTLIER -65.02 151.54 45.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.403 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.3 28.89 1.79 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.63 ' O ' HG23 ' A' ' 51' ' ' VAL . 83.2 m-20 -144.25 137.48 27.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.665 HG23 ' OG ' ' A' ' 71' ' ' SER . 10.0 mt -42.01 137.88 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.085 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.643 HG22 ' HA ' ' A' ' 102' ' ' GLU . 53.3 t -130.71 125.3 58.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.83 ' HB2' ' SD ' ' A' ' 103' ' ' MET . . . -87.19 128.63 35.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.815 ' CE2' HD13 ' A' ' 78' ' ' ILE . 38.7 p90 -118.06 158.8 24.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.539 ' HD2' ' CD2' ' A' ' 118' ' ' TRP . 8.2 mttm -150.27 148.59 29.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 1.081 HG21 HG21 ' A' ' 80' ' ' ILE . 91.9 t -115.8 111.5 35.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 44.9 mtt-85 -108.13 169.92 8.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.307 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.4 t -172.35 166.74 5.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.425 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 40.2 p -86.61 14.54 6.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 110.366 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.581 ' HB1' ' HD3' ' A' ' 62' ' ' LYS . . . -162.76 74.52 2.05 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -7.64 19.37 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.492 1.785 . . . . 0.0 110.976 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -109.14 32.61 4.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 110.289 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.581 ' HD3' ' HB1' ' A' ' 59' ' ' ALA . 24.5 mtpt -144.56 -46.14 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -101.36 122.29 43.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -79.44 97.63 6.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 110.345 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.489 HG23 ' CB ' ' A' ' 68' ' ' SER . 0.6 OUTLIER -101.14 116.4 44.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.513 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.4 OUTLIER -156.92 132.73 5.83 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.743 ' HD2' HD13 ' A' ' 80' ' ' ILE . 18.4 Cg_endo -75.01 147.4 89.19 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 121.049 -2.479 . . . . 0.0 110.973 0.068 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.489 ' CB ' HG23 ' A' ' 65' ' ' VAL . 1.9 p -112.99 -0.15 14.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 110.038 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.407 ' O ' ' HB2' ' A' ' 70' ' ' SER . 5.2 p30 -155.0 113.0 3.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.443 ' C ' HD11 ' A' ' 114' ' ' LEU . 0.1 OUTLIER 172.32 -165.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.998 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.922 ' HB3' HG22 ' A' ' 109' ' ' THR . 0.0 OUTLIER -138.93 160.54 39.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.017 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.624 ' HB3' HD21 ' A' ' 19' ' ' LEU . 28.1 t -121.59 116.93 25.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 108.289 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -46.92 160.47 0.33 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 121.52 6.63 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.455 1.766 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.11 41.3 8.11 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.431 1.082 . . . . 0.0 111.037 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -142.9 179.72 6.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 0.758 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.4 p -139.13 132.38 29.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.008 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.845 HG22 ' HB2' ' A' ' 43' ' ' LEU . 0.9 OUTLIER -104.94 171.82 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.477 ' CA ' HD11 ' A' ' 40' ' ' LEU . 69.3 m-20 -131.49 122.13 25.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 1.081 HG21 HG21 ' A' ' 55' ' ' VAL . 3.2 mm -116.56 104.44 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.694 HG23 ' HD2' ' A' ' 38' ' ' LYS . 2.6 mp -76.9 145.75 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.732 HG11 ' CZ ' ' A' ' 96' ' ' PHE . 95.6 t -139.85 99.44 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.7 t -120.85 130.92 24.63 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.03 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 168.54 24.6 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.556 ' CD2' ' HA ' ' A' ' 62' ' ' LYS . 2.7 m-70 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 109.618 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.423 ' OG1' ' N ' ' A' ' 90' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.392 -0.225 . . . . 0.0 110.392 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.423 ' N ' ' OG1' ' A' ' 89' ' ' THR . 39.2 t -98.17 106.1 18.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.128 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.1 m -106.79 168.74 8.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.965 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -92.24 35.85 1.0 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.108 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -108.92 -24.91 11.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.12 . . . . 0.0 110.268 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -84.85 162.58 19.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.18 152.31 37.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.732 ' CZ ' HG11 ' A' ' 82' ' ' VAL . 48.5 m-85 -117.82 152.54 35.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -137.22 103.79 5.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.972 HD11 HD13 ' A' ' 41' ' ' ILE . 3.7 mt -92.09 132.2 37.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.673 ' HE3' ' CZ3' ' A' ' 118' ' ' TRP . 27.4 mtm -111.42 155.03 23.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.559 ' C ' HG23 ' A' ' 126' ' ' VAL . . . -158.73 117.15 2.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.337 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.71 ' HB2' ' CB ' ' A' ' 126' ' ' VAL . . . -129.69 139.65 51.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.643 ' HA ' HG22 ' A' ' 51' ' ' VAL . 0.7 OUTLIER -69.73 127.36 32.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 110.281 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.83 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 16.6 mtp -96.64 171.94 8.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 111.028 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 103' ' ' MET . 3.2 mt-10 -60.57 -135.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.298 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.87 -81.57 0.49 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 110.274 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.5 m -94.46 104.22 16.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.031 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.49 145.14 36.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.023 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -87.88 140.16 16.27 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.556 1.16 . . . . 0.0 110.986 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.922 HG22 ' HB3' ' A' ' 71' ' ' SER . 19.4 p -93.53 60.09 3.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 0.772 . . . . 0.0 110.411 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.993 ' O ' HD23 ' A' ' 114' ' ' LEU . . . -103.34 -174.3 26.18 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -18.83 18.43 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.516 1.798 . . . . 0.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.466 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -92.67 -72.58 0.59 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' A' ' 112' ' ' ALA . 4.7 mm-40 -34.0 -40.47 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 110.326 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.993 HD23 ' O ' ' A' ' 110' ' ' GLY . 4.4 mm? -66.48 -69.83 0.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.6 t -43.17 -44.46 5.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.966 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.48 ' HA ' ' CG ' ' A' ' 119' ' ' LYS . 1.4 mt-30 -63.56 -35.13 79.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.672 ' O ' HG12 ' A' ' 121' ' ' VAL . 84.1 t80 -85.62 -20.92 28.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . 0.859 ' CZ3' HG21 ' A' ' 126' ' ' VAL . 63.1 m95 -89.06 -27.72 20.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 108.008 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.48 ' CG ' ' HA ' ' A' ' 116' ' ' GLN . 0.0 OUTLIER -80.49 -20.87 42.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -95.67 -45.68 6.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.285 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.672 HG12 ' O ' ' A' ' 117' ' ' PHE . 6.9 p -69.69 121.23 81.81 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.567 ' O ' HG12 ' A' ' 126' ' ' VAL . 18.3 Cg_endo -74.99 166.78 28.49 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.518 1.799 . . . . 0.0 110.969 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.492 ' HA ' HG12 ' A' ' 126' ' ' VAL . 0.0 OUTLIER -76.79 1.59 16.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -102.29 -9.63 20.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.527 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 29.5 mmtt -106.99 -22.68 12.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.859 HG21 ' CZ3' ' A' ' 118' ' ' TRP . 7.6 p -97.29 144.66 10.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . 0.447 ' CE ' ' HB3' ' A' ' 100' ' ' ALA . 34.1 ttp -85.03 119.37 25.35 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.142 . . . . 0.0 111.053 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -101.12 122.27 43.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 110.288 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . 0.752 ' CE1' ' CG ' ' A' ' 14' ' ' PHE . 36.9 t60 -127.96 119.55 25.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.568 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.88 138.86 31.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.328 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.815 HD12 ' CD1' ' A' ' 98' ' ' ILE . 0.3 OUTLIER -118.92 145.79 45.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 109.362 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -113.57 160.83 18.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 77.5 m -111.46 125.13 53.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 108.317 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . 0.452 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.568 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.0 p . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.786 HG22 ' OG ' ' A' ' 22' ' ' SER . 95.0 t -136.92 120.37 22.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.459 ' CD2' ' ND1' ' A' ' 129' ' ' HIS . 34.8 t80 -73.37 95.1 2.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.978 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.459 ' HD3' ' ND1' ' A' ' 20' ' ' HIS . 22.2 mmtp -62.29 106.82 0.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.497 ' H ' ' CD2' ' A' ' 20' ' ' HIS . . . -92.96 159.6 24.61 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.554 1.159 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.448 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.3 Cg_endo -74.98 -15.59 20.71 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.493 1.786 . . . . 0.0 111.02 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.607 ' HA ' HG23 ' A' ' 47' ' ' THR . 0.3 OUTLIER -127.24 -73.6 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.274 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.686 HD23 ' CG1' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -108.26 127.36 53.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.497 ' CD2' ' H ' ' A' ' 16' ' ' GLY . 13.8 m170 -79.94 127.4 32.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.642 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 1.017 HG21 ' CD2' ' A' ' 129' ' ' HIS . 1.4 mm -95.53 143.79 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.786 ' OG ' HG22 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -152.05 131.0 6.52 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 109.975 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.536 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 18.4 Cg_endo -74.95 -161.13 2.38 Favored 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 121.052 -2.478 . . . . 0.0 111.04 -0.085 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.25 -107.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.441 ' HB2' ' CD ' ' A' ' 132' ' ' ARG . 0.9 OUTLIER -105.07 65.23 0.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.587 1.179 . . . . 0.0 110.263 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.536 ' O ' ' HG2' ' A' ' 23' ' ' PRO . 7.9 pt-20 -163.0 144.58 9.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.429 1.081 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.678 ' HG ' HG21 ' A' ' 39' ' ' THR . 1.7 tp -147.87 122.3 9.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.459 ' CE1' ' HB3' ' A' ' 134' ' ' HIS . 2.8 m-85 -121.89 126.37 48.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.519 ' CG ' HG21 ' A' ' 90' ' ' VAL . 8.4 m-85 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.0 mttm . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.446 ' CB ' ' HB2' ' A' ' 83' ' ' SER . 0.3 OUTLIER -149.14 162.68 39.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.678 HG21 ' HG ' ' A' ' 27' ' ' LEU . 3.9 t -118.49 161.32 20.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.403 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.51 ' CD1' ' C ' ' A' ' 80' ' ' ILE . 0.7 OUTLIER -132.25 117.09 17.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 1.0 HD13 HD11 ' A' ' 98' ' ' ILE . 28.9 mt -90.76 136.02 25.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.8 t -112.76 136.39 49.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.84 ' HB2' HG22 ' A' ' 78' ' ' ILE . 37.4 mt -119.99 106.91 12.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.4 m -96.15 109.0 21.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.421 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.415 ' CG ' ' HA ' ' A' ' 74' ' ' PRO . 56.1 t-20 -76.46 113.07 13.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.542 HG22 ' O ' ' A' ' 18' ' ' LEU . 7.5 m -91.76 -40.38 12.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.607 HG23 ' HA ' ' A' ' 18' ' ' LEU . 1.3 p -52.37 156.8 1.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.368 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.89 29.16 2.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.566 ' O ' HG23 ' A' ' 51' ' ' VAL . 9.5 m-80 -151.11 137.47 18.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.416 ' C ' ' O ' ' A' ' 49' ' ' ASN . 43.4 mt -38.96 147.09 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.954 HG22 ' HA ' ' A' ' 102' ' ' GLU . 41.0 t -138.54 125.31 26.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.835 ' HB1' ' CD1' ' A' ' 114' ' ' LEU . . . -82.12 137.11 35.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.835 ' CE2' HD13 ' A' ' 78' ' ' ILE . 17.9 p90 -126.62 162.48 25.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.998 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.572 ' HD2' ' CD1' ' A' ' 118' ' ' TRP . 24.7 mttt -155.15 156.12 35.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.733 HG21 HG21 ' A' ' 80' ' ' ILE . 21.7 t -137.39 121.47 22.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.519 ' CD ' ' HB3' ' A' ' 97' ' ' LEU . 5.0 ppt_? -136.36 172.9 12.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.403 ' OG1' ' N ' ' A' ' 58' ' ' THR . 0.1 OUTLIER -158.66 169.76 23.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.391 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.403 ' N ' ' OG1' ' A' ' 57' ' ' THR . 77.7 p -72.89 -2.69 21.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 110.411 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.722 ' HB1' ' CD ' ' A' ' 62' ' ' LYS . . . -148.98 75.73 9.76 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -14.97 20.88 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.525 1.803 . . . . 0.0 111.009 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.513 ' O ' ' CD2' ' A' ' 85' ' ' HIS . 15.2 pt-20 -93.03 15.72 14.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.722 ' CD ' ' HB1' ' A' ' 59' ' ' ALA . 4.8 mttp -128.03 -46.04 1.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.451 ' OH ' ' CB ' ' A' ' 94' ' ' ASP . 55.3 m-85 -102.12 116.11 31.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 111.027 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 83' ' ' SER . 2.5 tpt180 -81.01 99.59 8.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.723 HG13 HG22 ' A' ' 82' ' ' VAL . 2.6 t -97.95 131.77 44.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.511 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.4 OUTLIER -163.71 134.26 3.37 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.797 ' HD2' HD13 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -75.02 140.63 68.37 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 121.027 -2.489 . . . . 0.0 110.956 0.024 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.419 ' HB3' ' O ' ' A' ' 65' ' ' VAL . 11.7 p -111.92 40.87 2.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 110.01 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.419 ' O ' ' HB2' ' A' ' 70' ' ' SER . 6.4 p-10 167.51 108.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.58 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 21.4 t 172.09 -169.47 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 0.0 110.017 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.518 ' N ' ' OG ' ' A' ' 70' ' ' SER . 0.7 OUTLIER -137.45 154.01 49.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.004 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.445 ' HB3' HD21 ' A' ' 19' ' ' LEU . 52.5 t -114.48 117.42 30.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.455 1.097 . . . . 0.0 108.336 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.04 165.2 0.62 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.415 ' HA ' ' CG ' ' A' ' 45' ' ' ASN . 18.4 Cg_endo -74.96 134.62 18.1 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.534 1.807 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.87 30.73 61.07 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.448 1.092 . . . . 0.0 111.054 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -134.44 -179.84 5.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 0.775 . . . . 0.0 109.266 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.419 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 2.0 p -145.03 133.41 21.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.019 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.84 HG22 ' HB2' ' A' ' 43' ' ' LEU . 0.9 OUTLIER -105.4 169.42 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.406 ' O ' ' HD2' ' A' ' 67' ' ' PRO . 2.0 m-20 -130.4 123.19 29.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.797 HD13 ' HD2' ' A' ' 67' ' ' PRO . 2.2 mm -120.72 108.31 22.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.407 HD12 HD13 ' A' ' 40' ' ' LEU . 2.4 mp -78.49 146.74 7.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.723 HG22 HG13 ' A' ' 65' ' ' VAL . 7.3 t -140.62 101.98 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.446 ' HB2' ' CB ' ' A' ' 38' ' ' LYS . 47.7 t -126.69 146.87 58.62 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.973 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 177.1 9.02 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.501 1.79 . . . . 0.0 111.03 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.513 ' CD2' ' O ' ' A' ' 61' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.62 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.519 HG21 ' CG ' ' A' ' 29' ' ' PHE . 3.1 t -76.66 -12.94 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.3 m 52.1 177.01 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.43 1.081 . . . . 0.0 110.006 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -109.81 -5.15 15.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -91.77 -34.12 14.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 110.299 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.451 ' CB ' ' OH ' ' A' ' 63' ' ' TYR . 1.9 p-10 -46.7 145.11 2.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 109.253 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.8 mmm180 -146.75 134.54 21.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 110.295 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.632 ' CZ ' ' CG1' ' A' ' 82' ' ' VAL . 69.0 m-85 -105.07 155.22 19.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.678 HD23 ' HD2' ' A' ' 130' ' ' ARG . 3.2 tm? -136.07 138.66 42.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 1.0 HD11 HD13 ' A' ' 41' ' ' ILE . 5.1 mt -127.88 141.79 45.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.342 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 4.5 mtp -117.76 155.12 30.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.964 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.447 ' HB3' ' HE2' ' A' ' 127' ' ' MET . . . -157.9 125.39 5.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.765 ' HB1' HG21 ' A' ' 121' ' ' VAL . . . -138.13 132.72 32.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.357 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.954 ' HA ' HG22 ' A' ' 51' ' ' VAL . 1.3 tt0 -68.72 116.54 9.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.297 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.648 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 21.8 mtp -88.67 172.56 9.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -91.01 -169.29 2.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.293 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -53.7 -81.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.286 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.66 128.14 35.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.009 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 10.7 m -167.26 109.28 0.65 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 110.011 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.405 ' O ' ' OG1' ' A' ' 109' ' ' THR . . . -81.01 -6.53 89.4 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.465 1.103 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.727 ' HA ' HD21 ' A' ' 114' ' ' LEU . 44.8 p 46.48 35.14 2.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 110.391 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.931 ' O ' HD23 ' A' ' 114' ' ' LEU . . . -86.12 -166.06 41.69 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -22.07 15.37 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.478 1.778 . . . . 0.0 111.04 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.484 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -93.11 -65.64 0.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.484 ' C ' ' O ' ' A' ' 112' ' ' ALA . 2.8 mm-40 -32.31 -40.41 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.304 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.931 HD23 ' O ' ' A' ' 110' ' ' GLY . 3.5 mm? -71.88 -69.03 0.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.6 -31.87 2.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.998 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.5 ' HA ' ' CG ' ' A' ' 119' ' ' LYS . 2.4 mt-30 -80.51 -31.56 37.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.685 ' HE2' ' HB3' ' A' ' 101' ' ' ALA . 82.9 t80 -83.84 -21.78 31.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . 0.637 ' HA ' HG12 ' A' ' 121' ' ' VAL . 63.4 m95 -87.21 -28.4 22.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 108.01 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.5 ' CG ' ' HA ' ' A' ' 116' ' ' GLN . 0.0 OUTLIER -81.3 -22.77 38.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.362 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.43 ' CG ' ' HD2' ' A' ' 119' ' ' LYS . 1.8 mt-10 -93.28 -44.99 8.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.765 HG21 ' HB1' ' A' ' 101' ' ' ALA . 5.9 p -69.27 125.13 91.74 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.737 ' O ' HG23 ' A' ' 126' ' ' VAL . 18.3 Cg_endo -74.95 154.47 42.75 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.502 1.791 . . . . 0.0 110.96 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.43 -32.69 62.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -63.02 -26.29 68.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.273 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.48 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 32.3 mmtt -101.16 7.47 43.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 122' ' ' PRO . 75.1 t -112.48 123.83 68.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . 0.501 ' HE1' ' CG1' ' A' ' 21' ' ' ILE . 16.6 ttp -90.52 101.69 14.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.473 ' HB3' HD21 ' A' ' 97' ' ' LEU . 6.1 mt-10 -86.11 124.58 32.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 110.353 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . 1.017 ' CD2' HG21 ' A' ' 21' ' ' ILE . 78.0 t60 -122.02 112.01 17.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.635 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.678 ' HD2' HD23 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -91.43 123.82 35.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.354 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.574 HD22 ' CD2' ' A' ' 129' ' ' HIS . 0.3 OUTLIER -92.52 144.06 25.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.337 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.441 ' CD ' ' HB2' ' A' ' 25' ' ' GLU . 4.8 ptp180 -123.19 142.07 51.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 9.7 t -78.54 149.7 33.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 108.297 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . 0.459 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 6.8 t-80 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.58 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.2 m . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.625 HG22 ' CE ' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -132.75 143.09 40.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.339 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.733 ' CG ' ' CE1' ' A' ' 129' ' ' HIS . 21.6 t80 -73.28 96.26 2.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 110.976 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.625 ' CE ' HG22 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -58.42 99.84 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.47 ' H ' ' CD2' ' A' ' 20' ' ' HIS . . . -89.82 155.07 24.39 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.483 1.114 . . . . 0.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.424 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.3 Cg_endo -74.99 -19.66 17.65 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.455 1.766 . . . . 0.0 110.978 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.496 ' HA ' ' CG2' ' A' ' 47' ' ' THR . 3.1 mt -120.41 -75.61 0.59 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.626 HD22 ' OD1' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -109.64 134.46 51.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.303 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.608 ' CE1' ' HG3' ' A' ' 15' ' ' LYS . 10.5 m170 -80.75 156.06 26.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.656 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.779 HD13 ' CD2' ' A' ' 43' ' ' LEU . 2.7 mm -128.98 122.89 57.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.563 ' O ' HG23 ' A' ' 41' ' ' ILE . 4.5 t -131.66 128.93 21.92 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.978 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.497 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 18.3 Cg_endo -74.98 -162.56 2.82 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 121.001 -2.5 . . . . 0.0 111.009 -0.102 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.31 -98.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.276 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.507 ' O ' ' CG ' ' A' ' 132' ' ' ARG . 22.6 mt-10 -115.51 66.72 0.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.341 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.583 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 2.3 pt-20 -162.95 153.19 16.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.465 ' HA ' HD23 ' A' ' 27' ' ' LEU . 12.6 mt -149.76 127.3 11.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.662 ' CE2' ' CD2' ' A' ' 134' ' ' HIS . 3.7 m-85 -109.43 120.93 44.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.932 ' CE2' HG21 ' A' ' 90' ' ' VAL . 57.2 m-85 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.955 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.96 157.68 43.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.486 ' CG2' ' HB ' ' A' ' 82' ' ' VAL . 9.4 t -112.7 160.4 17.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.428 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.549 HD12 ' N ' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -131.74 117.9 19.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.563 HG23 ' O ' ' A' ' 22' ' ' SER . 11.4 mt -90.96 146.4 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.6 t -119.39 135.6 59.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.842 ' HB2' HG22 ' A' ' 78' ' ' ILE . 19.1 mt -121.09 105.73 10.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.407 ' HB ' ' HB2' ' A' ' 20' ' ' HIS . 1.6 m -97.54 106.72 19.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.372 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.626 ' OD1' HD22 ' A' ' 19' ' ' LEU . 9.6 t-20 -69.78 111.33 5.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.607 HG11 ' NE2' ' A' ' 20' ' ' HIS . 11.3 m -101.69 34.09 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.251 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.496 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 1.2 p -120.72 163.59 17.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.127 . . . . 0.0 110.389 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -97.06 23.06 7.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.521 ' O ' HG23 ' A' ' 51' ' ' VAL . 8.4 m-80 -154.06 143.2 21.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 24.1 mt -43.73 148.66 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.348 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.831 HG22 ' HA ' ' A' ' 102' ' ' GLU . 54.2 t -138.96 122.47 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.839 ' HB1' ' CD1' ' A' ' 114' ' ' LEU . . . -80.64 138.57 36.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.85 ' CE2' HD13 ' A' ' 78' ' ' ILE . 18.0 p90 -131.46 147.72 52.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.16 . . . . 0.0 111.006 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.498 ' HD2' ' CD1' ' A' ' 118' ' ' TRP . 29.7 mttt -139.3 155.68 47.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 1.146 HG21 HG21 ' A' ' 80' ' ' ILE . 49.8 t -125.34 116.9 48.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.661 ' HB2' HD12 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -126.05 172.48 9.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 110.3 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.414 HG23 ' H ' ' A' ' 59' ' ' ALA . 4.5 t -164.36 167.9 19.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.418 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.41 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 9.2 p -87.83 24.21 1.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.383 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.486 ' HB1' ' HE3' ' A' ' 62' ' ' LYS . . . 179.84 71.95 0.16 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 0.54 8.73 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.445 1.76 . . . . 0.0 110.999 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -102.12 48.05 0.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.336 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.529 ' HD2' ' CE2' ' A' ' 63' ' ' TYR . 0.3 OUTLIER -168.57 -40.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.352 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.529 ' CE2' ' HD2' ' A' ' 62' ' ' LYS . 63.3 m-85 -101.75 134.54 44.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.993 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.21 92.62 6.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.462 ' O ' ' CG2' ' A' ' 65' ' ' VAL . 0.7 OUTLIER -97.9 118.4 44.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.369 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.519 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.6 OUTLIER -157.72 133.8 6.12 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.255 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.681 ' HD2' HD13 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -74.99 146.78 87.62 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 120.981 -2.508 . . . . 0.0 111.024 -0.044 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.461 ' HB3' ' O ' ' A' ' 65' ' ' VAL . 8.1 p -112.95 17.86 18.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.006 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.407 ' O ' ' HB2' ' A' ' 70' ' ' SER . 16.3 p-10 -171.18 107.64 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.613 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 46.4 t 177.82 -166.67 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.005 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.493 ' HB2' ' CG2' ' A' ' 109' ' ' THR . 0.8 OUTLIER -139.14 160.73 39.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.976 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.567 ' HB3' HD21 ' A' ' 19' ' ' LEU . 41.4 t -122.76 116.16 23.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 108.308 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -49.51 163.16 0.39 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 127.78 10.92 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.482 1.78 . . . . 0.0 110.941 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.48 35.28 33.37 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.126 . . . . 0.0 110.974 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -137.94 -178.89 5.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 0.768 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.0 p -142.85 134.06 25.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.004 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.85 HD13 ' CE2' ' A' ' 53' ' ' PHE . 1.0 OUTLIER -104.97 172.79 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.456 ' O ' HD13 ' A' ' 80' ' ' ILE . 3.2 m-20 -130.52 124.02 30.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 1.146 HG21 HG21 ' A' ' 55' ' ' VAL . 4.2 mm -120.19 103.45 14.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.4 mp -77.1 147.82 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.614 HG11 ' CZ ' ' A' ' 96' ' ' PHE . 96.9 t -140.68 97.48 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.09 124.51 34.49 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.026 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.508 ' HG3' ' CD1' ' A' ' 29' ' ' PHE . 18.4 Cg_endo -74.99 160.65 39.92 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.491 1.785 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.455 ' N ' ' O ' ' A' ' 62' ' ' LYS . 1.6 t-80 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.623 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.439 ' OG1' ' N ' ' A' ' 90' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.444 -0.206 . . . . 0.0 110.444 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.932 HG21 ' CE2' ' A' ' 29' ' ' PHE . 7.6 p -91.1 126.81 43.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.4 m -129.47 -173.78 3.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.993 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -93.01 40.38 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -115.97 -34.29 4.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.302 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -92.52 165.01 13.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -143.94 153.61 42.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.614 ' CZ ' HG11 ' A' ' 82' ' ' VAL . 27.4 m-85 -110.67 154.06 24.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.811 HD13 ' N ' ' A' ' 98' ' ' ILE . 1.9 tm? -133.6 146.75 51.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.811 ' N ' HD13 ' A' ' 97' ' ' LEU . 3.5 mt -137.36 137.54 45.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.564 ' HE2' ' CE2' ' A' ' 118' ' ' TRP . 18.7 mtp -110.39 153.2 25.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 110.975 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 52' ' ' ALA . . . -161.81 117.59 2.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.572 ' HB1' HG11 ' A' ' 121' ' ' VAL . . . -136.33 135.28 38.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.831 ' HA ' HG22 ' A' ' 51' ' ' VAL . 1.2 tt0 -69.96 119.99 15.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.752 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 13.2 mtp -89.88 172.0 9.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -68.26 -141.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 110.247 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -97.52 -32.1 11.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.294 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.74 136.5 45.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.993 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.461 ' HB2' ' HE2' ' A' ' 103' ' ' MET . 1.0 OUTLIER -173.91 127.75 0.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.001 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -86.73 -4.63 82.45 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.523 1.139 . . . . 0.0 111.021 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.778 ' HA ' HD21 ' A' ' 114' ' ' LEU . 68.0 p 43.01 36.52 0.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 0.783 . . . . 0.0 110.402 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.966 ' O ' HD23 ' A' ' 114' ' ' LEU . . . -88.72 -163.09 39.04 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.474 1.109 . . . . 0.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -47.62 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.495 1.787 . . . . 0.0 111.054 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.49 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -73.01 -60.54 2.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.49 ' C ' ' O ' ' A' ' 112' ' ' ALA . 27.5 mp0 -31.78 -52.42 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.329 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.966 HD23 ' O ' ' A' ' 110' ' ' GLY . 3.7 mm? -62.41 -69.65 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 114' ' ' LEU . 0.1 OUTLIER -39.02 -30.23 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.012 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 114' ' ' LEU . 3.4 mm100 -80.84 -53.68 6.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.988 ' O ' HG23 ' A' ' 121' ' ' VAL . 72.7 t80 -53.97 -42.07 68.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . 0.945 ' CZ3' HG13 ' A' ' 126' ' ' VAL . 24.5 m95 -67.16 -16.54 64.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 107.967 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.445 ' O ' ' HG2' ' A' ' 119' ' ' LYS . 0.0 OUTLIER -89.41 -15.73 32.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -97.82 -40.84 8.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.988 HG23 ' O ' ' A' ' 117' ' ' PHE . 2.3 t -71.09 129.26 89.56 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.927 ' O ' HG23 ' A' ' 126' ' ' VAL . 18.4 Cg_endo -74.97 170.33 20.66 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.471 1.774 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.19 2.51 15.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.243 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -101.01 -22.54 14.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.509 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 23.6 mmtt -102.25 -31.67 10.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.329 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.945 HG13 ' CZ3' ' A' ' 118' ' ' TRP . 47.1 t -70.44 109.67 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . 0.424 ' SD ' ' HD2' ' A' ' 17' ' ' PRO . 36.4 ttp -79.88 117.37 20.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 110.986 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.732 ' HB3' HD21 ' A' ' 97' ' ' LEU . 15.1 mt-10 -106.04 124.28 49.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . 0.733 ' CE1' ' CG ' ' A' ' 14' ' ' PHE . 35.3 t60 -118.35 118.33 31.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.603 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.689 ' HD2' HD23 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -95.52 130.27 42.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.32 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.622 HD12 ' CD1' ' A' ' 98' ' ' ILE . 1.3 mt -101.74 166.6 10.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.507 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -131.81 158.13 42.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.31 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 63.5 m -84.39 145.1 28.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 108.257 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . 0.662 ' CD2' ' CE2' ' A' ' 28' ' ' TYR . 27.1 t-80 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.657 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.9 m . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.522 HG22 ' HE3' ' A' ' 15' ' ' LYS . 1.2 m -129.55 139.37 51.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.747 ' CG ' ' CE1' ' A' ' 129' ' ' HIS . 56.2 t80 -75.45 95.5 3.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.526 ' HD3' ' CE1' ' A' ' 20' ' ' HIS . 0.2 OUTLIER -65.11 115.36 5.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.247 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.48 ' H ' ' CD2' ' A' ' 20' ' ' HIS . . . -97.55 165.33 22.37 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.429 1.081 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.431 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.3 Cg_endo -75.0 -16.17 20.35 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.539 1.81 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.56 ' HA ' HG23 ' A' ' 47' ' ' THR . 3.4 mt -125.25 -73.07 0.64 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.501 ' HB2' ' HB1' ' A' ' 100' ' ' ALA . 0.0 OUTLIER -110.44 134.44 52.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.347 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.76 ' CE1' HG11 ' A' ' 46' ' ' VAL . 25.4 m170 -82.72 154.99 24.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 109.591 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.481 HD12 ' CG2' ' A' ' 98' ' ' ILE . 1.6 mm -124.4 140.1 48.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.515 ' O ' HG23 ' A' ' 41' ' ' ILE . 0.3 OUTLIER -150.99 130.27 6.49 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.048 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.469 ' C ' ' HA ' ' A' ' 22' ' ' SER . 18.5 Cg_endo -75.0 178.69 33.58 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 120.979 -2.509 . . . . 0.0 111.029 0.006 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.31 -99.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.432 ' O ' ' CZ ' ' A' ' 132' ' ' ARG . 3.9 pm0 -128.52 61.21 1.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.282 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.406 ' O ' ' HG2' ' A' ' 23' ' ' PRO . 0.0 OUTLIER -162.65 103.81 1.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 110.308 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.884 ' HG ' HD22 ' A' ' 131' ' ' LEU . 27.8 mt -101.01 141.07 34.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.551 ' CE1' ' HB3' ' A' ' 134' ' ' HIS . 1.4 m-85 -130.95 91.97 3.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 111.015 179.991 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.5 mttm . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.42 144.56 40.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.572 ' OG1' HD22 ' A' ' 27' ' ' LEU . 6.6 t -107.13 129.17 54.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.38 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.629 HD12 ' N ' ' A' ' 41' ' ' ILE . 2.6 tp -111.51 119.15 37.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.798 HD13 HD11 ' A' ' 98' ' ' ILE . 36.7 mt -90.78 146.79 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 t -116.93 127.64 74.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.704 ' HB2' HG22 ' A' ' 78' ' ' ILE . 11.6 mt -112.97 106.59 14.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.402 ' HB ' ' HB2' ' A' ' 20' ' ' HIS . 2.8 m -98.16 108.82 21.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 110.394 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -76.3 113.28 13.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.76 HG11 ' CE1' ' A' ' 20' ' ' HIS . 12.7 m -86.95 -39.38 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.56 HG23 ' HA ' ' A' ' 18' ' ' LEU . 1.6 p -52.33 160.25 0.84 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.384 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt -97.07 29.03 3.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.26 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.593 ' O ' HG23 ' A' ' 51' ' ' VAL . 7.1 m-80 -151.61 137.13 17.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 49' ' ' ASN . 17.4 mt -40.14 142.99 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.872 HG22 ' HA ' ' A' ' 102' ' ' GLU . 41.1 t -135.66 109.04 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.843 ' HB2' ' SD ' ' A' ' 103' ' ' MET . . . -69.85 139.36 53.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.623 ' CE2' HG21 ' A' ' 78' ' ' ILE . 16.8 p90 -129.7 162.24 28.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.553 ' HE3' ' CD1' ' A' ' 118' ' ' TRP . 12.0 mttm -146.05 157.18 43.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 1.076 HG21 HG21 ' A' ' 80' ' ' ILE . 57.8 t -129.02 107.05 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 0.0 109.324 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.469 ' O ' ' N ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -118.65 142.06 48.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 110.321 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.44 168.93 18.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.413 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 31.8 p -78.67 2.62 18.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.401 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.554 ' HB1' ' HD3' ' A' ' 62' ' ' LYS . . . -154.29 75.2 5.95 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.426 1.079 . . . . 0.0 109.343 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -3.93 14.64 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.535 1.808 . . . . 0.0 110.99 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -108.3 26.72 10.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 110.277 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.554 ' HD3' ' HB1' ' A' ' 59' ' ' ALA . 14.6 mtpt -138.82 -46.69 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -101.51 134.48 44.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.07 102.59 14.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 110.355 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.475 ' CG2' ' HB3' ' A' ' 68' ' ' SER . 0.6 OUTLIER -104.32 119.21 52.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.453 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.0 OUTLIER -153.4 128.75 4.99 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.722 ' O ' HG23 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -74.99 152.66 98.49 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 121.023 -2.49 . . . . 0.0 111.024 -0.035 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.475 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 42.9 p -112.36 -14.22 13.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.022 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -145.91 87.53 1.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.344 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.583 ' HB2' ' CZ ' ' A' ' 53' ' ' PHE . 2.3 m -155.86 -164.94 1.83 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 0.0 110.012 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.472 ' HG ' ' C ' ' A' ' 51' ' ' VAL . 2.8 t -140.26 171.69 13.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.958 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.479 ' HB3' HD21 ' A' ' 19' ' ' LEU . 39.1 t -134.84 115.99 14.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 108.31 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.87 162.66 0.36 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 133.45 16.65 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.518 1.799 . . . . 0.0 111.033 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.09 8.91 87.21 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -118.67 -178.74 3.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 0.748 . . . . 0.0 109.259 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.474 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 2.8 p -146.11 137.29 24.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.986 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.704 HG22 ' HB2' ' A' ' 43' ' ' LEU . 2.1 tt -105.19 166.41 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.628 ' HB2' HD11 ' A' ' 40' ' ' LEU . 2.7 p30 -121.18 117.18 26.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 1.076 HG21 HG21 ' A' ' 55' ' ' VAL . 6.2 mm -108.19 95.15 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.412 ' N ' HD13 ' A' ' 40' ' ' LEU . 3.3 mp -71.62 144.87 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.693 HG11 ' CZ ' ' A' ' 96' ' ' PHE . 55.6 t -139.6 97.24 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.35 136.64 24.08 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.97 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 173.9 13.72 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.519 1.799 . . . . 0.0 110.948 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.619 -179.98 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 75.0 t -92.4 129.08 43.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.7 t -134.23 174.66 10.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.024 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -92.51 37.3 1.0 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -112.22 -31.63 6.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -85.69 150.0 24.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 96' ' ' PHE . 0.0 OUTLIER -134.18 143.58 47.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.251 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.693 ' CZ ' HG11 ' A' ' 82' ' ' VAL . 10.7 m-85 -107.71 154.12 21.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 111.043 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 56' ' ' ARG . 3.2 tm? -139.65 126.03 20.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.798 HD11 HD13 ' A' ' 41' ' ' ILE . 3.0 mt -117.4 123.42 71.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.716 ' HE3' ' CZ3' ' A' ' 118' ' ' TRP . 24.6 mtm -102.83 153.7 19.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 111.017 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.615 ' C ' HG23 ' A' ' 126' ' ' VAL . . . -155.56 118.59 4.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.351 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.785 ' HB2' ' HB ' ' A' ' 126' ' ' VAL . . . -129.16 135.89 49.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.872 ' HA ' HG22 ' A' ' 51' ' ' VAL . 1.3 tt0 -70.34 119.72 14.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 110.247 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.843 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 4.3 mtp -86.71 171.11 11.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -79.79 -143.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.74 -166.94 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.2 m -53.48 113.6 1.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.987 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.1 m -134.33 142.26 47.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.039 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.43 ' N ' ' OE1' ' A' ' 113' ' ' GLU . . . -58.45 -171.61 0.31 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.501 1.125 . . . . 0.0 110.997 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.718 ' HA ' HD21 ' A' ' 114' ' ' LEU . 36.8 p -148.27 33.32 0.81 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.477 0.751 . . . . 0.0 110.381 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.898 ' O ' HD23 ' A' ' 114' ' ' LEU . . . -78.11 -169.93 35.26 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.533 1.146 . . . . 0.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -20.09 17.19 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.567 1.825 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.477 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -92.66 -65.15 1.02 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.477 ' C ' ' O ' ' A' ' 112' ' ' ALA . 2.1 mm-40 -33.09 -43.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.898 HD23 ' O ' ' A' ' 110' ' ' GLY . 3.8 mm? -70.58 -69.89 0.33 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 114' ' ' LEU . 1.8 t -34.75 -37.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 114' ' ' LEU . 1.0 OUTLIER -70.99 -56.98 5.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.243 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.84 ' O ' HG12 ' A' ' 121' ' ' VAL . 70.6 t80 -57.89 -26.35 62.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . 0.813 ' CZ3' HG21 ' A' ' 126' ' ' VAL . 89.9 m95 -81.78 -16.07 52.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 107.991 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.443 ' HD3' ' CG ' ' A' ' 120' ' ' GLU . 0.0 OUTLIER -88.88 -20.67 24.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.443 ' CG ' ' HD3' ' A' ' 119' ' ' LYS . 4.8 mt-10 -99.88 -47.26 5.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.84 HG12 ' O ' ' A' ' 117' ' ' PHE . 7.3 p -69.64 125.38 91.94 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.57 ' O ' HG12 ' A' ' 126' ' ' VAL . 18.3 Cg_endo -75.01 177.11 9.03 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.535 1.808 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.455 ' C ' ' CD ' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -88.49 0.26 56.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.342 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -103.45 -5.23 23.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.548 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 35.4 mmtt -107.46 -29.62 9.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.813 HG21 ' CZ3' ' A' ' 118' ' ' TRP . 6.0 p -89.19 144.3 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . 0.473 ' O ' ' HA ' ' A' ' 99' ' ' MET . 43.0 ttp -85.64 139.67 31.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -118.02 126.36 52.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.323 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . 0.747 ' CE1' ' CG ' ' A' ' 14' ' ' PHE . 62.7 t60 -135.26 118.43 16.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.595 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.417 ' HA ' ' O ' ' A' ' 96' ' ' PHE . 0.1 OUTLIER -93.58 131.87 38.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.884 HD22 ' HG ' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -108.81 144.05 37.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.26 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.432 ' CZ ' ' O ' ' A' ' 25' ' ' GLU . 8.0 ptt-85 -124.64 148.32 48.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.335 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 15.0 p -91.87 146.17 23.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 108.32 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . 0.551 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.629 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.8 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.739 HG13 ' O ' ' A' ' 21' ' ' ILE . 48.1 t -132.77 123.62 49.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.722 ' CD1' ' CE1' ' A' ' 129' ' ' HIS . 77.0 t80 -73.64 95.57 2.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.589 ' HD3' ' CE1' ' A' ' 20' ' ' HIS . 21.0 mmtp -63.34 110.97 2.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.506 ' H ' ' CD2' ' A' ' 20' ' ' HIS . . . -95.49 157.31 21.84 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.465 1.103 . . . . 0.0 110.955 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.404 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.3 Cg_endo -75.01 -15.28 20.8 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.784 . . . . 0.0 111.018 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.505 ' HA ' ' CG2' ' A' ' 47' ' ' THR . 6.7 mt -124.66 -72.28 0.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.581 HD23 ' CG1' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -113.21 134.04 54.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.326 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.589 ' CE1' ' HD3' ' A' ' 15' ' ' LYS . 14.5 m170 -81.23 157.35 25.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.604 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.739 ' O ' HG13 ' A' ' 13' ' ' VAL . 1.7 mm -124.62 139.65 50.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.457 ' O ' HG23 ' A' ' 41' ' ' ILE . 5.3 t -152.25 126.66 4.54 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.006 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.434 ' C ' ' HA ' ' A' ' 22' ' ' SER . 18.4 Cg_endo -74.94 -177.32 20.13 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.02 -2.492 . . . . 0.0 111.025 -0.051 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.44 -98.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -126.69 58.1 1.42 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -163.16 103.69 0.98 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 1.012 HD22 HD22 ' A' ' 131' ' ' LEU . 0.1 OUTLIER -86.11 144.43 27.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -132.09 92.17 3.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 111.042 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.572 ' CE2' HG22 ' A' ' 39' ' ' THR . 95.7 m-85 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 111.026 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.7 mtmm . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.29 142.85 44.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.69 ' OG1' HD12 ' A' ' 27' ' ' LEU . 9.4 t -105.4 144.01 32.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.392 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.651 HD12 ' N ' ' A' ' 41' ' ' ILE . 2.5 tp -121.4 120.61 35.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.651 ' N ' HD12 ' A' ' 40' ' ' LEU . 32.8 mt -89.25 153.44 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 t -124.56 129.52 73.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.75 ' HB2' HG22 ' A' ' 78' ' ' ILE . 10.4 mt -116.32 103.89 10.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.406 ' HB ' ' HB2' ' A' ' 20' ' ' HIS . 1.0 OUTLIER -91.67 110.14 21.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 0.0 110.373 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 72' ' ' CYS . 18.3 t-20 -72.77 119.41 16.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.48 HG11 ' NE2' ' A' ' 20' ' ' HIS . 8.7 m -114.51 39.43 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.505 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 1.8 p -127.61 158.73 36.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.178 . . . . 0.0 110.388 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.66 27.52 2.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.504 ' O ' HG23 ' A' ' 51' ' ' VAL . 8.2 m-80 -159.35 135.48 8.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.428 ' C ' ' O ' ' A' ' 49' ' ' ASN . 13.0 mt -37.68 140.99 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.581 ' CG1' HD23 ' A' ' 19' ' ' LEU . 71.0 t -127.3 119.52 52.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.803 ' HB1' ' CD1' ' A' ' 114' ' ' LEU . . . -84.54 131.0 34.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.835 ' HE2' HD13 ' A' ' 78' ' ' ILE . 10.3 p90 -120.61 159.74 24.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.512 ' HD2' ' CE2' ' A' ' 118' ' ' TRP . 4.2 mttm -147.2 143.2 28.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 1.089 HG21 HG21 ' A' ' 80' ' ' ILE . 95.7 t -114.63 117.0 54.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -122.31 168.69 11.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.401 ' OG1' ' N ' ' A' ' 58' ' ' THR . 1.7 t -168.2 172.02 8.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.391 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.401 ' N ' ' OG1' ' A' ' 57' ' ' THR . 10.9 p -84.44 8.82 15.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.376 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.4 ' HB1' ' HB2' ' A' ' 62' ' ' LYS . . . -154.21 76.28 5.77 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.258 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -1.6 11.44 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.481 1.779 . . . . 0.0 111.041 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -119.61 30.16 7.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.34 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.47 ' O ' ' HA ' ' A' ' 84' ' ' PRO . 18.3 mttt -137.28 -46.37 0.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -102.1 127.82 48.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 111.033 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.503 ' CB ' ' O ' ' A' ' 83' ' ' SER . 5.0 ttt180 -85.87 93.65 8.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 110.321 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.5 ' O ' ' CG2' ' A' ' 65' ' ' VAL . 0.7 OUTLIER -99.05 116.09 41.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.446 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.2 OUTLIER -152.78 127.85 4.82 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 109.243 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.838 ' O ' HG23 ' A' ' 80' ' ' ILE . 18.2 Cg_endo -74.99 154.39 99.67 Favored 'Cis proline' 0 C--N 1.361 1.19 0 C-N-CA 121.023 -2.491 . . . . 0.0 110.976 -0.041 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.475 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 39.6 p -112.33 -18.69 12.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.002 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 39.4 p-10 -142.07 90.64 2.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.453 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -156.86 -167.85 2.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.005 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.564 ' OG ' HG22 ' A' ' 109' ' ' THR . 0.7 OUTLIER -138.84 172.62 12.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 110.02 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.457 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 44.3 t -134.87 120.6 19.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 108.313 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.6 160.17 0.62 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 119.29 5.59 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.534 1.808 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.92 22.31 23.52 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.448 1.092 . . . . 0.0 111.043 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -137.41 -178.38 5.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 0.785 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.485 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 3.2 p -142.6 141.15 31.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.019 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.835 HD13 ' HE2' ' A' ' 53' ' ' PHE . 1.3 tt -104.53 162.44 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.365 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.604 ' HB3' HD11 ' A' ' 40' ' ' LEU . 12.9 m-20 -118.3 117.65 29.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 1.089 HG21 HG21 ' A' ' 55' ' ' VAL . 6.0 mm -110.09 97.17 5.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.405 ' N ' HD13 ' A' ' 40' ' ' LEU . 3.2 mp -72.44 144.59 12.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.569 HG11 ' CZ ' ' A' ' 96' ' ' PHE . 97.0 t -135.73 97.92 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.503 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -126.06 119.94 23.86 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.032 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.47 ' HA ' ' O ' ' A' ' 62' ' ' LYS . 18.5 Cg_endo -74.94 173.82 13.83 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.492 1.785 . . . . 0.0 111.038 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.595 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 69.2 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.403 ' O ' ' O ' ' A' ' 91' ' ' SER . 1.0 OUTLIER -112.76 -3.88 10.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 90' ' ' VAL . 3.7 m 41.32 -162.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.009 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -150.64 24.71 0.77 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -106.1 -33.69 7.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.327 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.17 171.47 10.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.137 . . . . 0.0 109.339 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -144.51 160.83 40.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.569 ' CZ ' HG11 ' A' ' 82' ' ' VAL . 14.5 m-85 -120.67 151.81 39.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.107 . . . . 0.0 111.024 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.46 HD12 ' H ' ' A' ' 98' ' ' ILE . 25.2 tp -134.84 136.71 42.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.787 ' CD1' HD12 ' A' ' 131' ' ' LEU . 3.2 mt -127.88 121.86 57.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.742 ' HE3' ' CZ3' ' A' ' 118' ' ' TRP . 28.7 mtm -101.71 157.9 16.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.56 ' C ' HG23 ' A' ' 126' ' ' VAL . . . -161.23 119.19 2.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.794 ' HB2' ' HB ' ' A' ' 126' ' ' VAL . . . -128.09 141.99 51.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.412 ' HA ' HG22 ' A' ' 51' ' ' VAL . 1.5 tt0 -69.9 112.6 6.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.583 ' HG2' ' CZ ' ' A' ' 117' ' ' PHE . 0.0 OUTLIER -87.02 172.32 10.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.981 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' A' ' 103' ' ' MET . 2.0 mt-10 -60.59 -143.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 110.302 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -97.09 -78.92 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.72 107.88 20.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 109.981 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 27.0 m -154.64 130.33 9.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.968 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.44 152.75 44.28 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.537 1.148 . . . . 0.0 110.984 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.635 ' HA ' ' CD2' ' A' ' 114' ' ' LEU . 38.9 p -103.65 19.36 20.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 0.752 . . . . 0.0 110.386 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.736 ' O ' HD23 ' A' ' 114' ' ' LEU . . . -56.09 -179.77 0.42 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -16.11 20.35 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.473 1.775 . . . . 0.0 110.969 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.456 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -92.77 -64.8 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 112' ' ' ALA . 17.0 mp0 -34.09 -53.73 0.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.803 ' CD1' ' HB1' ' A' ' 52' ' ' ALA . 4.6 mm? -55.17 -69.18 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.458 ' C ' ' O ' ' A' ' 114' ' ' LEU . 0.1 OUTLIER -34.06 -44.27 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 110.013 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.408 ' O ' ' HD2' ' A' ' 119' ' ' LYS . 8.2 mm-40 -61.74 -59.63 4.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.154 . . . . 0.0 110.254 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.858 ' O ' HG12 ' A' ' 121' ' ' VAL . 51.3 t80 -56.05 -31.53 63.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . 0.856 ' CZ3' HG21 ' A' ' 126' ' ' VAL . 90.6 m95 -76.39 -15.89 59.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 107.997 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.434 ' HD3' ' CG ' ' A' ' 120' ' ' GLU . 0.2 OUTLIER -90.77 -18.18 25.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.434 ' CG ' ' HD3' ' A' ' 119' ' ' LYS . 4.2 mt-10 -103.95 -46.32 4.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.858 HG12 ' O ' ' A' ' 117' ' ' PHE . 8.9 p -69.59 121.94 84.07 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.59 ' O ' HG12 ' A' ' 126' ' ' VAL . 18.2 Cg_endo -75.08 165.9 30.24 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.464 1.77 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.48 ' HA ' ' CG1' ' A' ' 126' ' ' VAL . 0.0 OUTLIER -76.99 0.92 19.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -102.44 -7.73 21.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.534 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 31.1 mmtt -107.73 -25.68 11.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.856 HG21 ' CZ3' ' A' ' 118' ' ' TRP . 4.8 p -92.87 143.44 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . 0.433 ' HG2' ' N ' ' A' ' 128' ' ' GLU . 50.7 ttp -82.26 149.1 28.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.991 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.433 ' N ' ' HG2' ' A' ' 127' ' ' MET . 63.0 mt-10 -128.84 126.13 39.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 110.315 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . 0.722 ' CE1' ' CD1' ' A' ' 14' ' ' PHE . 65.8 t60 -135.99 122.3 20.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.587 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.94 139.62 30.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.325 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 1.012 HD22 HD22 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -117.09 150.64 38.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.263 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.5 159.96 38.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.309 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 9.2 t -87.25 158.29 19.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 108.304 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.596 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.443 HG22 ' CE ' ' A' ' 15' ' ' LYS . 0.9 OUTLIER -129.16 147.39 33.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.74 ' CG ' ' CE1' ' A' ' 129' ' ' HIS . 19.3 t80 -76.33 96.07 3.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.597 ' HG3' ' CE1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -51.39 94.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.462 ' H ' ' CD2' ' A' ' 20' ' ' HIS . . . -76.91 152.47 40.58 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.468 1.105 . . . . 0.0 110.961 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -18.23 18.93 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.479 1.779 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.424 ' HA ' ' CG2' ' A' ' 47' ' ' THR . 0.4 OUTLIER -131.91 -57.77 0.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.579 HD22 ' OD1' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -120.03 131.7 55.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.597 ' CE1' ' HG3' ' A' ' 15' ' ' LYS . 6.6 m170 -78.49 156.5 29.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.621 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.525 HD12 ' CG2' ' A' ' 98' ' ' ILE . 2.4 mm -126.84 121.9 59.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.464 ' O ' ' HA ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -131.05 125.76 21.29 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.994 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.42 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 18.2 Cg_endo -75.06 -172.77 11.25 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.979 -2.509 . . . . 0.0 110.958 0.031 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.79 -68.35 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.86 ' HA ' HD23 ' A' ' 131' ' ' LEU . 2.6 pm0 -156.58 58.6 0.55 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.268 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.456 ' CG ' ' C ' ' A' ' 25' ' ' GLU . 2.1 mt-10 -155.03 103.35 2.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 1.043 HD22 HD22 ' A' ' 131' ' ' LEU . 0.2 OUTLIER -100.64 109.04 21.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -88.88 91.8 8.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.516 ' CE2' ' HB3' ' A' ' 27' ' ' LEU . 70.0 m-85 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 111.052 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.5 mttt . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.498 ' HG2' ' N ' ' A' ' 39' ' ' THR . 0.3 OUTLIER -124.34 141.88 51.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.317 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.569 ' OG1' HD12 ' A' ' 27' ' ' LEU . 1.3 t -110.65 160.96 16.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 110.379 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.689 HD12 ' N ' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -131.49 123.11 27.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.549 1.156 . . . . 0.0 109.285 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.689 ' N ' HD12 ' A' ' 40' ' ' LEU . 10.2 mt -91.16 156.8 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.7 t -129.24 126.18 63.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.839 ' HB2' HG22 ' A' ' 78' ' ' ILE . 23.5 mt -112.5 102.19 10.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.402 ' O ' ' HB2' ' A' ' 20' ' ' HIS . 0.9 OUTLIER -92.4 108.11 19.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 110.447 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.579 ' OD1' HD22 ' A' ' 19' ' ' LEU . 34.8 t30 -74.14 106.13 5.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.423 ' O ' HG23 ' A' ' 46' ' ' VAL . 10.8 m -97.92 37.83 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.424 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 1.1 p -124.12 163.82 20.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.425 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -97.81 24.92 6.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 109.269 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.549 ' O ' HG23 ' A' ' 51' ' ' VAL . 3.9 m-80 -157.02 137.06 12.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.554 HD12 ' HB2' ' A' ' 107' ' ' SER . 56.1 mt -40.09 148.28 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.851 HG22 ' HA ' ' A' ' 102' ' ' GLU . 53.7 t -138.4 118.23 14.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.681 ' HB3' ' HE2' ' A' ' 117' ' ' PHE . . . -80.88 132.73 35.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.936 ' CE2' HG21 ' A' ' 78' ' ' ILE . 6.9 p90 -122.64 154.92 37.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.423 ' HD2' ' CD2' ' A' ' 118' ' ' TRP . 6.7 mttm -139.23 147.21 41.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.087 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.985 HG21 HG21 ' A' ' 80' ' ' ILE . 96.3 t -113.82 107.08 22.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 97' ' ' LEU . 1.1 tmt_? -110.17 155.85 21.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.292 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.48 HG23 ' H ' ' A' ' 59' ' ' ALA . 5.0 t -158.58 169.74 23.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.385 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.4 p -87.73 21.58 2.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.413 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.48 ' H ' HG23 ' A' ' 57' ' ' THR . . . -168.23 75.23 0.87 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -5.27 16.59 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.521 1.8 . . . . 0.0 111.003 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -118.28 35.88 4.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.287 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.48 ' HB2' ' HB1' ' A' ' 59' ' ' ALA . 15.9 mtpt -145.69 -44.82 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.627 ' HE1' HG12 ' A' ' 90' ' ' VAL . 90.3 m-85 -101.21 134.02 44.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.81 101.7 14.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.256 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.5 ' O ' ' CG2' ' A' ' 65' ' ' VAL . 0.7 OUTLIER -112.09 115.27 49.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 67' ' ' PRO . 0.0 OUTLIER -149.87 125.62 5.01 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.822 ' HD2' HD13 ' A' ' 80' ' ' ILE . 18.4 Cg_endo -75.04 157.85 99.32 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 120.999 -2.501 . . . . 0.0 111.04 0.051 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.474 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 54.6 p -112.84 -10.85 13.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.988 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -157.4 85.24 0.92 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -141.56 -163.6 1.6 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 110.022 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.477 ' OG ' HG23 ' A' ' 50' ' ' ILE . 11.8 t -138.09 170.54 15.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.007 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 43.7 t -140.41 118.58 11.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 108.331 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.59 164.52 1.1 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 136.8 20.86 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.483 1.781 . . . . 0.0 111.005 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.01 23.52 71.59 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.48 1.113 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -138.64 -179.07 5.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.765 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.487 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 3.9 p -145.21 143.88 30.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.963 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.936 HG21 ' CE2' ' A' ' 53' ' ' PHE . 1.3 tt -105.15 165.6 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.433 ' HB2' HD11 ' A' ' 40' ' ' LEU . 15.0 p-10 -116.84 123.45 47.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.985 HG21 HG21 ' A' ' 55' ' ' VAL . 2.8 mm -120.52 106.26 18.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.162 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.456 HG23 ' CD ' ' A' ' 38' ' ' LYS . 2.6 mp -81.52 148.56 5.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.517 ' HB ' HG23 ' A' ' 39' ' ' THR . 80.1 t -140.12 96.95 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -114.9 118.72 40.32 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.025 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.469 ' HG3' ' CG1' ' A' ' 90' ' ' VAL . 18.3 Cg_endo -75.02 153.97 42.06 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.478 1.778 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 109.622 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.453 ' OG1' ' N ' ' A' ' 90' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.627 HG12 ' HE1' ' A' ' 63' ' ' TYR . 5.9 m -76.15 -2.18 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.447 ' O ' ' HB2' ' A' ' 92' ' ' ALA . 0.9 OUTLIER 52.69 -89.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 109.979 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 90' ' ' VAL . . . 177.58 -40.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -68.07 -28.23 67.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.319 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.46 ' CB ' ' OH ' ' A' ' 63' ' ' TYR . 7.0 p-10 -41.35 144.86 0.29 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.105 . . . . 0.0 109.338 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 19.4 mmm-85 -140.42 144.99 36.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.511 ' CZ ' ' CG1' ' A' ' 82' ' ' VAL . 22.1 m-85 -119.65 154.19 34.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.603 HD12 ' H ' ' A' ' 98' ' ' ILE . 42.9 tp -133.57 148.06 51.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.344 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.888 ' CD1' HD12 ' A' ' 131' ' ' LEU . 3.1 mt -138.25 123.05 22.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.601 ' CE ' ' CZ3' ' A' ' 118' ' ' TRP . 7.6 mtp -99.1 154.98 17.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 111.05 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.456 ' HB1' ' HB2' ' A' ' 19' ' ' LEU . . . -159.48 116.62 2.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.261 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.794 ' HB2' HG23 ' A' ' 126' ' ' VAL . . . -130.68 133.17 45.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.851 ' HA ' HG22 ' A' ' 51' ' ' VAL . 1.2 tt0 -69.83 120.38 15.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 110.321 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.587 ' HG2' ' CE1' ' A' ' 117' ' ' PHE . 0.0 OUTLIER -89.17 172.65 8.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 111.041 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -72.71 -169.88 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 110.317 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -67.92 -42.08 81.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.32 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.47 115.66 27.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.975 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.554 ' HB2' HD12 ' A' ' 50' ' ' ILE . 22.2 m -136.48 106.94 6.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.039 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -72.07 -9.04 70.9 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 66.6 p 39.9 51.25 2.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 0.752 . . . . 0.0 110.419 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -117.35 -170.77 15.36 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.495 1.122 . . . . 0.0 111.029 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -21.13 16.27 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.481 1.779 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -91.78 -69.31 0.75 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 109.263 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 112' ' ' ALA . 2.1 mm-40 -38.44 -46.24 1.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 118' ' ' TRP . 87.1 mt -62.8 -60.61 3.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.536 ' O ' ' CG ' ' A' ' 119' ' ' LYS . 0.4 OUTLIER -53.14 -26.95 18.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.041 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.521 ' HA ' ' CG ' ' A' ' 119' ' ' LYS . 1.1 tt0 -82.98 -35.19 26.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.685 ' O ' HG12 ' A' ' 121' ' ' VAL . 12.1 t80 -83.24 -22.9 32.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 111.006 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . 0.888 ' CZ3' HG21 ' A' ' 126' ' ' VAL . 62.4 m95 -87.6 -27.07 22.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 108.034 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.536 ' CG ' ' O ' ' A' ' 115' ' ' SER . 0.0 OUTLIER -82.99 -22.43 33.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -94.27 -42.91 8.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.318 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.685 HG12 ' O ' ' A' ' 117' ' ' PHE . 7.9 p -69.59 122.62 86.34 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.657 ' O ' HG12 ' A' ' 126' ' ' VAL . 18.3 Cg_endo -74.96 -173.08 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.518 1.799 . . . . 0.0 111.016 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.524 ' HA ' HG12 ' A' ' 126' ' ' VAL . 0.0 OUTLIER -93.22 0.83 57.21 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . 0.444 ' N ' ' HD2' ' A' ' 123' ' ' ARG . 2.4 t-20 -102.32 -13.57 17.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.523 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 27.5 mmtt -102.7 -28.98 11.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.888 HG21 ' CZ3' ' A' ' 118' ' ' TRP . 14.8 p -92.19 137.96 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' MET . . . . . 0.411 ' C ' ' SD ' ' A' ' 127' ' ' MET . 19.1 tmm? -85.43 137.13 33.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 111.058 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.429 ' HB3' HD11 ' A' ' 97' ' ' LEU . 62.5 mt-10 -119.26 128.66 54.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . 0.74 ' CE1' ' CG ' ' A' ' 14' ' ' PHE . 63.0 t60 -131.89 123.03 26.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.59 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -93.83 136.28 34.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.278 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 1.043 HD22 HD22 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -111.61 158.69 18.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.258 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -140.81 156.1 46.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 26.5 p -81.49 157.72 24.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 108.278 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 51.0 t60 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.606 179.974 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.1 t -113.14 133.02 55.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 0.752 . . . . 0.0 109.998 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.2 m -162.03 165.89 26.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.012 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.77 -139.78 2.74 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.453 1.096 . . . . 0.0 110.966 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.5 p -176.02 151.07 1.04 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 0.764 . . . . 0.0 109.968 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 65.94 165.38 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.992 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.86 -124.6 2.29 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.98 162.14 5.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.411 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 0.4 OUTLIER -160.92 146.39 10.97 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 9' ' ' LYS . 18.1 Cg_endo -75.01 159.98 40.66 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.553 1.817 . . . . 0.0 110.971 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.92 119.67 34.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.9 m -124.34 151.97 43.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.959 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.565 HG22 ' HE3' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -130.48 147.82 33.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.491 ' CG ' ' CE1' ' A' ' 129' ' ' HIS . 26.5 t80 -74.65 95.62 2.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.983 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.622 ' HG3' ' CE1' ' A' ' 20' ' ' HIS . 0.1 OUTLIER -58.28 92.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.439 ' H ' ' CD2' ' A' ' 20' ' ' HIS . . . -83.5 153.26 30.02 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.423 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.3 Cg_endo -75.03 -17.79 19.18 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.516 1.798 . . . . 0.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.535 ' HA ' HG23 ' A' ' 47' ' ' THR . 7.1 mt -120.18 -75.82 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.643 ' HB2' HG11 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -111.54 132.87 54.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.319 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.622 ' CE1' ' HG3' ' A' ' 15' ' ' LYS . 14.5 m170 -80.25 155.87 27.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.616 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.614 HD13 HD22 ' A' ' 43' ' ' LEU . 1.4 mm -125.91 126.7 70.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.579 ' O ' HG23 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -134.11 126.05 18.36 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.989 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.463 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 18.3 Cg_endo -75.04 -173.42 12.32 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 121.005 -2.498 . . . . 0.0 111.005 0.015 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.75 -81.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.731 ' HA ' HD23 ' A' ' 131' ' ' LEU . 22.0 mt-10 -143.33 64.23 1.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -162.68 104.6 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.326 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.531 ' HG ' HD22 ' A' ' 131' ' ' LEU . 32.1 mt -102.99 135.5 44.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.319 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.497 ' CE1' ' HB3' ' A' ' 134' ' ' HIS . 1.6 m-85 -130.26 93.19 3.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.584 ' CB ' HG21 ' A' ' 90' ' ' VAL . 56.6 m-85 -76.09 84.56 2.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.955 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 161.49 108.21 0.23 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.477 1.111 . . . . 0.0 111.036 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.63 162.62 13.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.415 0.715 . . . . 0.0 110.02 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.4 tt -54.07 -31.09 20.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -71.18 149.68 46.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 110.302 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.2 m -92.71 30.75 1.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.951 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -92.44 -108.7 1.74 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -100.5 157.95 16.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.427 0.722 . . . . 0.0 110.288 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -115.73 63.24 0.69 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 109.31 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.42 ' HE2' ' CG1' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -115.09 143.15 45.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.502 HG21 HD22 ' A' ' 27' ' ' LEU . 14.0 t -100.67 143.88 30.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.398 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.57 HD12 ' N ' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -117.24 120.32 37.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.579 HG23 ' O ' ' A' ' 22' ' ' SER . 12.0 mt -90.68 147.63 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.9 t -120.52 131.97 71.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.848 ' HB2' HG22 ' A' ' 78' ' ' ILE . 18.6 mt -121.35 110.6 16.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.262 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.402 ' HB ' ' HB2' ' A' ' 20' ' ' HIS . 2.7 m -101.17 108.49 20.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.399 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.415 ' OD1' HG21 ' A' ' 51' ' ' VAL . 48.8 t30 -75.89 97.73 4.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.564 HG11 ' NE2' ' A' ' 20' ' ' HIS . 27.1 m -69.11 -43.67 81.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.535 HG23 ' HA ' ' A' ' 18' ' ' LEU . 7.5 p -49.02 163.11 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.405 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.25 14.95 29.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.416 ' HB2' ' CD ' ' A' ' 102' ' ' GLU . 77.6 m-20 -130.3 161.29 31.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.7 mt -61.52 145.62 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.643 HG11 ' HB2' ' A' ' 19' ' ' LEU . 80.2 t -135.16 118.12 23.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.785 ' HB3' ' CE2' ' A' ' 117' ' ' PHE . . . -83.65 115.91 22.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.667 ' CE1' HD13 ' A' ' 78' ' ' ILE . 33.4 p90 -111.11 153.52 25.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.507 ' HD2' ' CE2' ' A' ' 118' ' ' TRP . 9.8 mttt -144.3 138.27 27.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 1.014 HG21 HG21 ' A' ' 80' ' ' ILE . 98.7 t -105.56 130.56 56.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.443 ' NH1' ' SD ' ' A' ' 99' ' ' MET . 4.4 mtt180 -132.43 172.5 12.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.4 t -168.85 161.4 10.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.401 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.4 p -72.53 -9.23 58.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.39 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.652 ' HB1' ' HD3' ' A' ' 62' ' ' LYS . . . -149.48 74.42 9.67 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -18.56 18.75 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -88.25 11.79 15.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.312 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.652 ' HD3' ' HB1' ' A' ' 59' ' ' ALA . 4.7 mtpp -123.49 -43.1 2.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -102.74 130.61 49.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -84.87 102.08 12.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.282 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.457 ' O ' ' CG2' ' A' ' 65' ' ' VAL . 0.7 OUTLIER -108.07 118.93 56.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.519 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.4 OUTLIER -158.71 133.37 5.43 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.659 ' HD2' HD13 ' A' ' 80' ' ' ILE . 18.6 Cg_endo -74.93 146.11 85.77 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 120.995 -2.502 . . . . 0.0 111.056 -0.097 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.452 ' CB ' HG23 ' A' ' 65' ' ' VAL . 6.2 p -111.83 -7.8 14.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.993 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -147.16 98.53 3.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.107 . . . . 0.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.55 -171.02 0.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.005 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.0 t -130.43 170.83 13.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.41 1.069 . . . . 0.0 110.003 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.608 ' HB3' HD21 ' A' ' 19' ' ' LEU . 53.5 t -134.67 115.15 13.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 108.279 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -53.8 160.38 2.15 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.406 ' HB3' ' N ' ' A' ' 49' ' ' ASN . 18.5 Cg_endo -74.94 124.94 9.02 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.512 1.796 . . . . 0.0 111.052 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.01 29.21 26.37 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.477 1.111 . . . . 0.0 110.981 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -142.1 153.89 44.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 109.276 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.419 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 2.7 p -114.48 138.87 50.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.001 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.848 HG22 ' HB2' ' A' ' 43' ' ' LEU . 1.0 OUTLIER -104.86 171.11 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.448 ' O ' HD13 ' A' ' 80' ' ' ILE . 7.0 m-20 -131.18 124.08 29.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 1.014 HG21 HG21 ' A' ' 55' ' ' VAL . 5.0 mm -118.67 111.43 33.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.468 HD12 HD13 ' A' ' 40' ' ' LEU . 2.0 mp -82.4 145.53 8.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.534 HG11 ' CZ ' ' A' ' 96' ' ' PHE . 80.3 t -139.45 97.9 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.3 t -118.33 130.6 24.66 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.024 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 170.01 21.35 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.495 1.787 . . . . 0.0 111.02 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -56.9 154.91 8.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.592 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -87.17 44.8 3.33 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.457 1.098 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -154.61 -53.37 0.01 OUTLIER Glycine 0 CA--C 1.529 0.958 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.533 HD12 ' N ' ' A' ' 89' ' ' THR . 4.6 pp -79.48 -165.09 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 0.732 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.533 ' N ' HD12 ' A' ' 88' ' ' LEU . 0.8 OUTLIER -140.77 171.59 13.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.396 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.584 HG21 ' CB ' ' A' ' 29' ' ' PHE . 36.0 t -67.18 122.01 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.15 -162.82 0.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.035 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -119.68 -41.8 2.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.352 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -69.11 -14.79 63.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 18.9 p-10 -63.85 131.5 47.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 96' ' ' PHE . 4.7 tpp180 -135.32 143.11 45.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 110.298 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.534 ' CZ ' HG11 ' A' ' 82' ' ' VAL . 43.9 m-85 -110.99 151.69 27.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 0.0 111.047 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.759 HD11 ' HB3' ' A' ' 128' ' ' GLU . 33.1 tp -131.41 145.1 51.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.729 ' CD1' HD12 ' A' ' 131' ' ' LEU . 3.1 mt -134.71 123.59 42.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.34 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.443 ' SD ' ' NH1' ' A' ' 56' ' ' ARG . 15.2 mtm -98.47 156.01 16.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 110.965 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -162.42 117.82 1.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.81 ' HB1' HG21 ' A' ' 121' ' ' VAL . . . -135.94 133.44 37.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.468 ' OE2' ' CG2' ' A' ' 51' ' ' VAL . 0.8 OUTLIER -71.6 127.1 31.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.318 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.56 ' HA ' ' CE1' ' A' ' 117' ' ' PHE . 24.8 mtp -87.91 171.88 10.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 111.048 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 103' ' ' MET . 2.8 mt-10 -60.99 -140.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -80.36 -88.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 23.4 m -99.21 105.17 17.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 109.968 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.63 128.51 33.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.989 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -59.86 -171.86 0.57 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.577 1.173 . . . . 0.0 110.999 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 75.3 p -142.1 53.31 1.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 0.741 . . . . 0.0 110.41 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.456 ' O ' HD12 ' A' ' 114' ' ' LEU . . . -111.46 -172.4 19.37 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.458 1.099 . . . . 0.0 110.956 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -14.45 21.24 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -92.52 -72.72 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 112' ' ' ALA . 3.8 mm-40 -38.11 -45.86 0.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.327 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.456 HD12 ' O ' ' A' ' 110' ' ' GLY . 95.7 mt -59.83 -65.69 0.64 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.15 -29.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.002 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.423 ' N ' ' C ' ' A' ' 114' ' ' LEU . 3.0 mm100 -80.14 -53.15 6.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.785 ' CE2' ' HB3' ' A' ' 52' ' ' ALA . 19.7 t80 -57.45 -36.73 71.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 0.0 111.001 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . 0.6 ' HZ3' HG22 ' A' ' 126' ' ' VAL . 52.0 m95 -74.3 -9.35 58.51 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.76 -27.29 14.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.403 ' CG ' ' N ' ' A' ' 121' ' ' VAL . 0.4 OUTLIER -91.16 -42.07 10.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.81 HG21 ' HB1' ' A' ' 101' ' ' ALA . 8.3 p -69.21 122.28 84.85 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.477 ' HG2' ' CG ' ' A' ' 125' ' ' LYS . 18.2 Cg_endo -74.98 145.48 31.57 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.489 1.784 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.74 -25.62 4.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -68.13 -28.13 67.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.477 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 34.4 mmtt -92.65 -19.75 21.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.6 HG22 ' HZ3' ' A' ' 118' ' ' TRP . 50.5 t -75.11 111.33 11.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.349 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . 0.423 ' SD ' ' HD2' ' A' ' 17' ' ' PRO . 33.6 ttp -87.37 113.84 23.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.968 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.759 ' HB3' HD11 ' A' ' 97' ' ' LEU . 19.0 mt-10 -102.16 133.71 46.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.324 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . 0.512 ' HD2' HG21 ' A' ' 21' ' ' ILE . 32.2 t60 -129.39 112.03 13.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.647 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.48 ' HG3' HD13 ' A' ' 97' ' ' LEU . 2.6 mtm180 -88.75 131.71 34.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.303 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.731 HD23 ' HA ' ' A' ' 25' ' ' GLU . 0.3 OUTLIER -103.59 163.11 12.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.5 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -123.4 157.26 33.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.328 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 34.2 m -108.91 125.05 51.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 108.319 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.497 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 0.5 OUTLIER -92.37 69.97 5.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.597 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 68.5 p -38.72 125.63 1.45 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.374 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 33.9 m -85.98 131.43 34.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.327 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.34 140.17 12.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 44.27 75.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.036 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 2.3 m -76.48 103.68 6.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.991 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 7.4 mttt 178.2 149.27 0.39 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.166 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 61.4 5.71 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.461 1.769 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 9.5 t30 51.9 90.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.345 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 19.8 t 62.38 141.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 110.026 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.4 tp 50.37 -177.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.46 148.2 50.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -167.7 108.65 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.13 128.97 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.004 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -159.3 94.48 0.13 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.508 1.13 . . . . 0.0 110.974 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -177.57 3.56 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.53 1.805 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 5.0 t -71.32 100.93 2.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.015 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.63 170.49 8.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.041 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.528 1.143 . . . . 0.0 111.003 179.976 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.57 116.15 25.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 0.765 . . . . 0.0 110.008 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.8 m -87.27 -58.97 2.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.007 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.8 -139.73 14.63 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.545 1.153 . . . . 0.0 110.992 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 m -128.13 137.75 52.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 0.727 . . . . 0.0 110.014 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 m -91.08 89.13 7.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.006 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.47 174.84 38.19 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.554 1.159 . . . . 0.0 110.98 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.8 tptt -148.84 111.38 4.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 0.756 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.0 155.2 0.65 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 163.39 35.32 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.481 1.779 . . . . 0.0 111.001 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -150.14 147.15 27.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.7 m -126.35 146.88 49.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.962 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.629 HG22 ' HE3' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -130.75 145.4 35.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.444 1.09 . . . . 0.0 109.317 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.685 ' CG ' ' CE1' ' A' ' 129' ' ' HIS . 24.1 t80 -74.12 96.17 2.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.629 ' HE3' HG22 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -58.84 96.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.467 ' H ' ' CD2' ' A' ' 20' ' ' HIS . . . -87.88 154.69 25.9 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.507 1.129 . . . . 0.0 111.027 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.451 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.3 Cg_endo -74.98 -20.14 17.21 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.492 1.785 . . . . 0.0 111.02 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.597 ' HA ' HG23 ' A' ' 47' ' ' THR . 5.4 mt -116.84 -76.06 0.57 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.718 HD21 ' HB3' ' A' ' 72' ' ' CYS . 0.0 OUTLIER -113.11 134.59 54.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.612 ' CE1' ' HG3' ' A' ' 15' ' ' LYS . 16.8 m170 -80.08 155.98 27.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.617 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.68 HD13 ' CD2' ' A' ' 43' ' ' LEU . 1.6 mm -127.44 129.66 70.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.63 ' O ' HG23 ' A' ' 41' ' ' ILE . 2.4 t -140.03 129.18 13.49 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.01 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.447 ' C ' ' HA ' ' A' ' 22' ' ' SER . 18.3 Cg_endo -74.99 -178.24 22.89 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.022 0.046 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.65 -88.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.643 ' HA ' HD23 ' A' ' 131' ' ' LEU . 16.2 mt-10 -135.5 63.36 1.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 23' ' ' PRO . 1.9 pt-20 -163.08 103.17 0.99 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.324 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.55 HD22 ' OG1' ' A' ' 39' ' ' THR . 10.1 mt -101.17 125.33 47.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' A' ' 28' ' ' TYR . 20.5 m-85 -104.33 91.32 3.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.582 ' CD2' HG21 ' A' ' 90' ' ' VAL . 38.8 m-85 -86.33 85.61 7.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 146.75 78.69 0.03 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.522 1.138 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 32' ' ' ILE . 20.8 t -62.14 164.15 7.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 0.775 . . . . 0.0 109.959 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 31' ' ' SER . 2.1 mp -39.84 148.6 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 75.11 -163.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.267 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.5 m -121.65 30.24 6.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.01 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.403 ' O ' ' CB ' ' A' ' 36' ' ' GLU . . . -126.61 115.31 2.21 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.463 1.102 . . . . 0.0 111.042 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.403 ' CB ' ' O ' ' A' ' 35' ' ' GLY . 2.0 tt0 78.67 127.57 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.75 . . . . 0.0 110.34 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -142.54 53.55 1.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.261 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.41 ' HE2' ' CG1' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -111.72 145.89 38.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.55 ' OG1' HD22 ' A' ' 27' ' ' LEU . 13.2 t -109.98 138.73 45.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.406 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.563 HD12 ' N ' ' A' ' 41' ' ' ILE . 0.7 OUTLIER -114.62 118.37 33.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.297 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.63 HG23 ' O ' ' A' ' 22' ' ' SER . 48.8 mt -91.84 147.07 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.2 t -121.13 133.69 66.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.808 ' HB2' HG22 ' A' ' 78' ' ' ILE . 17.6 mt -120.03 110.57 16.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.41 ' HB ' ' HB2' ' A' ' 20' ' ' HIS . 1.0 OUTLIER -100.75 106.5 17.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.402 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -75.38 111.7 10.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.434 HG11 ' NE2' ' A' ' 20' ' ' HIS . 9.3 m -85.22 -38.9 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.597 HG23 ' HA ' ' A' ' 18' ' ' LEU . 1.4 p -51.56 155.81 1.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.385 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.03 28.28 3.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.619 ' O ' HG23 ' A' ' 51' ' ' VAL . 14.5 m-80 -148.64 136.55 20.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 49' ' ' ASN . 22.2 mt -39.39 145.86 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.946 HG22 ' HA ' ' A' ' 102' ' ' GLU . 63.5 t -137.87 130.92 41.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.831 ' HB2' ' SD ' ' A' ' 103' ' ' MET . . . -87.78 124.85 34.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.866 ' CE2' HD13 ' A' ' 78' ' ' ILE . 26.7 p90 -116.26 160.61 20.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.539 ' HD2' ' CD1' ' A' ' 118' ' ' TRP . 4.4 mttm -151.87 158.66 43.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.09 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.913 HG21 HG21 ' A' ' 80' ' ' ILE . 36.7 t -135.0 123.42 40.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.485 ' CD ' ' SD ' ' A' ' 99' ' ' MET . 0.0 OUTLIER -129.8 173.02 11.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.276 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.43 ' OG1' ' N ' ' A' ' 58' ' ' THR . 0.7 OUTLIER -164.94 171.95 13.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 110.413 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.43 ' N ' ' OG1' ' A' ' 57' ' ' THR . 21.7 p -81.52 5.06 19.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.372 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.841 ' HB1' ' HB2' ' A' ' 62' ' ' LYS . . . -149.19 76.84 9.27 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -15.67 20.57 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.548 1.815 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.431 ' O ' ' NE2' ' A' ' 85' ' ' HIS . 14.5 pt-20 -105.84 20.3 19.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 110.305 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.841 ' HB2' ' HB1' ' A' ' 59' ' ' ALA . 7.9 mtpt -125.09 -43.66 1.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.653 ' CE2' ' HB3' ' A' ' 59' ' ' ALA . 35.7 m-85 -109.56 137.75 46.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.9 106.93 18.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.635 HG11 ' HB ' ' A' ' 55' ' ' VAL . 50.5 t -101.48 122.02 53.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.483 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.0 OUTLIER -163.06 129.07 2.28 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.625 ' HD2' HD13 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -75.02 137.04 48.07 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 120.935 -2.527 . . . . 0.0 110.999 0.02 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.454 ' HB3' HG12 ' A' ' 65' ' ' VAL . 90.5 p -112.82 36.04 3.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.999 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 171.33 103.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.402 ' O ' HD11 ' A' ' 114' ' ' LEU . 0.3 OUTLIER 176.43 -160.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.054 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.581 ' HB3' HG22 ' A' ' 109' ' ' THR . 0.0 OUTLIER -138.67 162.64 34.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.968 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.718 ' HB3' HD21 ' A' ' 19' ' ' LEU . 42.2 t -123.8 115.55 21.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 108.261 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -51.13 160.59 0.85 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 134.77 18.18 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.539 1.81 . . . . 0.0 110.966 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.57 33.32 60.99 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.554 1.159 . . . . 0.0 110.993 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -136.21 -179.16 5.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.596 0.821 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.5 p -141.45 132.84 26.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.995 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.866 HD13 ' CE2' ' A' ' 53' ' ' PHE . 1.2 tt -105.1 169.67 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.448 ' OD2' ' CD1' ' A' ' 81' ' ' ILE . 1.8 p-10 -130.32 121.04 25.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.913 HG21 HG21 ' A' ' 55' ' ' VAL . 5.3 mm -115.87 104.26 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.448 ' CD1' ' OD2' ' A' ' 79' ' ' ASP . 2.2 mp -77.46 142.46 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.66 HG11 ' CZ ' ' A' ' 96' ' ' PHE . 54.2 t -139.93 104.6 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.339 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.6 t -124.2 132.16 24.27 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.985 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.46 ' O ' ' N ' ' A' ' 86' ' ' GLY . 18.4 Cg_endo -74.98 107.39 2.47 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.475 1.776 . . . . 0.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.536 ' CD2' ' HA ' ' A' ' 62' ' ' LYS . 11.1 m-70 38.09 -97.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.606 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 84' ' ' PRO . . . -108.76 -59.49 0.54 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.54 1.15 . . . . 0.0 111.029 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -167.63 39.66 0.23 Allowed Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.477 ' C ' HD12 ' A' ' 88' ' ' LEU . 4.1 pp -83.74 163.96 19.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 0.743 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.425 ' O ' ' CD1' ' A' ' 88' ' ' LEU . 1.2 t -76.19 161.2 29.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 110.383 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.617 HG12 ' HE1' ' A' ' 63' ' ' TYR . 2.2 m -118.84 0.53 7.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.0 m 44.72 -165.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.023 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -118.34 21.84 12.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -106.54 -26.27 11.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.485 ' OD2' ' CE2' ' A' ' 63' ' ' TYR . 24.5 t0 -70.98 152.96 43.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.67 151.83 44.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 110.292 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.66 ' CZ ' HG11 ' A' ' 82' ' ' VAL . 20.0 m-85 -117.21 153.84 32.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.999 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.622 HD23 ' HD2' ' A' ' 130' ' ' ARG . 2.9 tm? -135.38 136.85 41.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.803 ' CD1' HD12 ' A' ' 131' ' ' LEU . 4.2 mt -130.79 128.9 63.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.485 ' SD ' ' CD ' ' A' ' 56' ' ' ARG . 1.9 mtp -106.69 155.79 19.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.419 ' HB1' ' HB2' ' A' ' 19' ' ' LEU . . . -160.71 120.92 2.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.591 ' HB1' HG21 ' A' ' 121' ' ' VAL . . . -131.88 134.86 46.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.946 ' HA ' HG22 ' A' ' 51' ' ' VAL . 1.2 tt0 -68.47 116.11 8.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 110.327 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.831 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 11.3 mtp -88.29 172.17 9.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -61.18 -139.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -102.3 -42.78 5.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.251 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.76 156.56 17.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.007 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 20.1 p -179.25 162.48 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.971 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -114.68 -7.13 18.46 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.491 1.12 . . . . 0.0 110.962 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.825 ' HA ' HD21 ' A' ' 114' ' ' LEU . 69.6 p 46.16 29.69 0.85 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 0.766 . . . . 0.0 110.398 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 1.015 ' O ' HD23 ' A' ' 114' ' ' LEU . . . -78.14 -169.79 35.08 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.491 1.119 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -26.82 10.59 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.454 1.765 . . . . 0.0 111.016 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.487 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -92.73 -59.54 2.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.487 ' C ' ' O ' ' A' ' 112' ' ' ALA . 2.3 mm-40 -32.42 -38.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.343 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 1.015 HD23 ' O ' ' A' ' 110' ' ' GLY . 3.1 mm? -75.53 -70.91 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.06 -30.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.979 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 114' ' ' LEU . 4.0 mm100 -78.71 -51.92 9.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 110.283 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.874 ' O ' HG12 ' A' ' 121' ' ' VAL . 76.4 t80 -59.21 -31.03 68.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . 0.539 ' CD1' ' HD2' ' A' ' 54' ' ' LYS . 87.2 m95 -78.8 -12.42 60.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 108.005 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.15 -23.22 18.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -93.53 -42.73 9.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.31 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.874 HG12 ' O ' ' A' ' 117' ' ' PHE . 14.6 p -69.49 125.45 91.98 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.474 ' HG2' ' CG ' ' A' ' 125' ' ' LYS . 18.3 Cg_endo -74.99 151.09 39.13 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.477 1.777 . . . . 0.0 111.028 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.05 -18.76 5.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.267 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -77.29 -21.2 53.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.474 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 26.8 mmtt -103.07 -16.46 15.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.502 HG13 ' HZ3' ' A' ' 118' ' ' TRP . 54.9 t -79.54 113.79 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . 0.451 ' SD ' ' HD2' ' A' ' 17' ' ' PRO . 29.9 ttp -84.79 100.48 11.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.444 ' HB3' HD21 ' A' ' 97' ' ' LEU . 3.2 mt-10 -90.22 132.1 35.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 110.312 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . 0.685 ' CE1' ' CG ' ' A' ' 14' ' ' PHE . 72.6 t60 -131.33 111.86 12.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.596 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.622 ' HD2' HD23 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -85.66 141.88 29.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 110.285 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.803 HD12 ' CD1' ' A' ' 98' ' ' ILE . 0.3 OUTLIER -117.13 157.1 26.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.501 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 0.7 OUTLIER -128.22 156.39 43.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 14.6 t -88.83 150.13 23.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 108.282 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.05 80.67 1.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.613 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.486 HG23 ' N ' ' A' ' 136' ' ' VAL . 6.1 t -161.73 -162.68 0.89 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.384 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.486 ' N ' HG23 ' A' ' 135' ' ' THR . 13.3 p -138.06 146.49 26.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.82 -63.37 1.14 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 3.2 t 69.6 166.72 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 110.015 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.74 149.5 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.974 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -162.02 145.39 9.18 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.28 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -176.88 3.11 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.523 1.801 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 22.2 t30 -131.64 -52.53 1.0 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 3.0 m 58.34 159.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 109.997 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -172.15 168.73 5.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 4.1 ttt -154.88 161.33 41.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 111.049 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.825 HD13 ' O ' ' A' ' 146' ' ' LEU . 0.0 OUTLIER -152.24 145.47 24.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.332 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . 0.482 ' N ' HD22 ' A' ' 146' ' ' LEU . 0.4 OUTLIER -148.63 174.13 12.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.986 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -177.78 78.46 0.07 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.546 1.154 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 177.92 7.94 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.498 1.788 . . . . 0.0 111.005 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 46.7 m -166.28 165.07 17.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.986 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 7.2 t -138.06 -59.08 0.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.992 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.523 1.139 . . . . 0.0 110.971 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.04 94.85 2.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 109.987 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 p -158.01 159.98 36.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.958 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.87 163.7 31.59 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.452 1.095 . . . . 0.0 110.994 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.7 154.62 39.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 0.752 . . . . 0.0 109.945 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.08 134.59 29.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.039 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.92 -129.13 5.65 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.69 154.49 3.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 0.753 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.16 157.47 66.61 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -177.86 3.75 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.467 1.772 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -43.89 129.29 5.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.282 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.1 m -154.85 153.68 31.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 110.016 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.511 HG22 ' CE ' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -125.43 143.17 39.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.753 ' CG ' ' CE1' ' A' ' 129' ' ' HIS . 20.3 t80 -73.43 96.01 2.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.961 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.617 ' HG3' ' CE1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -57.2 93.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 109.334 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.457 ' H ' ' CD2' ' A' ' 20' ' ' HIS . . . -84.74 155.49 30.57 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.436 1.085 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.411 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.2 Cg_endo -75.0 -18.96 18.3 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.472 1.775 . . . . 0.0 111.03 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.657 ' HA ' HG23 ' A' ' 47' ' ' THR . 2.7 mt -120.67 -76.43 0.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.743 HD21 ' HB3' ' A' ' 72' ' ' CYS . 0.0 OUTLIER -110.52 133.0 53.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.617 ' CE1' ' HG3' ' A' ' 15' ' ' LYS . 17.8 m170 -79.69 156.31 27.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.573 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.603 HD12 HG21 ' A' ' 98' ' ' ILE . 3.0 mm -127.43 127.68 69.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.242 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.451 ' HA ' ' C ' ' A' ' 23' ' ' PRO . 0.5 OUTLIER -138.48 128.61 15.0 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.973 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.451 ' C ' ' HA ' ' A' ' 22' ' ' SER . 18.4 Cg_endo -75.04 178.66 33.74 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 120.964 -2.515 . . . . 0.0 110.982 -0.026 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.98 -85.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.793 ' HA ' HD23 ' A' ' 131' ' ' LEU . 12.4 mt-10 -141.92 63.48 1.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 23' ' ' PRO . 0.3 OUTLIER -162.58 103.47 1.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.606 HD22 HG21 ' A' ' 39' ' ' THR . 13.5 mt -101.48 127.1 48.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.435 ' CD1' ' N ' ' A' ' 28' ' ' TYR . 16.4 m-85 -105.72 93.44 4.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.09 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.614 ' CD2' HG11 ' A' ' 90' ' ' VAL . 54.3 m-85 -82.24 96.29 7.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 148.37 90.02 0.08 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.571 1.17 . . . . 0.0 110.963 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 64.9 m -113.59 162.05 16.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 0.0 110.027 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mt -113.14 -58.6 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -49.76 -46.73 50.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.251 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.0 p -78.6 -25.69 45.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.001 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.08 -92.92 1.74 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -44.66 145.97 0.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.782 . . . . 0.0 110.263 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.6 mtmm -84.98 58.77 5.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.355 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.754 ' HD2' HG23 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -115.48 145.36 42.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.606 HG21 HD22 ' A' ' 27' ' ' LEU . 10.2 t -107.16 146.72 30.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.379 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.555 HD12 ' N ' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -118.21 117.43 29.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.555 ' N ' HD12 ' A' ' 40' ' ' LEU . 6.4 mt -90.98 149.96 3.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 t -124.33 136.03 61.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.75 ' HB2' HG22 ' A' ' 78' ' ' ILE . 8.4 mt -120.45 108.57 14.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.404 ' HB ' ' HB2' ' A' ' 20' ' ' HIS . 0.8 OUTLIER -93.99 112.11 23.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.409 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.437 ' CG ' ' HA ' ' A' ' 74' ' ' PRO . 43.5 t-20 -79.76 108.93 13.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.513 HG22 ' O ' ' A' ' 18' ' ' LEU . 13.6 m -86.17 -39.57 13.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.552 1.158 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.657 HG23 ' HA ' ' A' ' 18' ' ' LEU . 1.7 p -51.26 158.91 0.73 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.424 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -97.57 25.89 5.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.537 ' O ' HG23 ' A' ' 51' ' ' VAL . 6.8 m-80 -148.76 138.13 21.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.412 ' C ' ' O ' ' A' ' 49' ' ' ASN . 10.3 mt -39.37 149.25 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.757 HG22 ' HA ' ' A' ' 102' ' ' GLU . 76.4 t -137.75 128.03 36.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.663 ' HB3' ' CE2' ' A' ' 117' ' ' PHE . . . -90.54 126.37 35.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.601 ' CE1' HD13 ' A' ' 78' ' ' ILE . 47.9 p90 -121.45 162.06 21.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.986 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.537 ' HE3' ' CD1' ' A' ' 118' ' ' TRP . 12.9 mttm -150.5 149.93 30.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.956 HG21 HG21 ' A' ' 80' ' ' ILE . 79.0 t -113.89 115.31 49.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 109.253 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -122.7 136.87 55.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.328 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.464 HG23 ' H ' ' A' ' 59' ' ' ALA . 4.9 t -134.04 169.51 17.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.402 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.1 p -88.5 22.42 2.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.429 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.793 ' HB1' ' HD3' ' A' ' 62' ' ' LYS . . . -174.86 73.33 0.3 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -17.84 19.35 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.509 1.794 . . . . 0.0 111.025 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -92.37 21.27 5.39 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.564 1.165 . . . . 0.0 110.29 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.793 ' HD3' ' HB1' ' A' ' 59' ' ' ALA . 10.2 mtpt -136.09 -46.43 0.64 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.575 ' CE2' ' HB3' ' A' ' 59' ' ' ALA . 30.7 m-85 -102.25 133.84 46.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.8 112.67 24.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.495 ' O ' ' CG2' ' A' ' 65' ' ' VAL . 0.6 OUTLIER -116.53 116.12 51.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.439 ' HG2' ' HA ' ' A' ' 67' ' ' PRO . 0.0 OUTLIER -151.95 127.17 4.8 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.691 ' O ' HG23 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -75.0 155.65 99.96 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 121.011 -2.495 . . . . 0.0 111.041 -0.002 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.447 ' CB ' ' CG2' ' A' ' 65' ' ' VAL . 26.1 p -113.37 -18.57 12.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.127 . . . . 0.0 109.981 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -143.58 99.65 3.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.55 ' HB2' ' CZ ' ' A' ' 53' ' ' PHE . 69.6 m -161.99 -177.66 5.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 110.031 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.71 158.26 33.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.964 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.743 ' HB3' HD21 ' A' ' 19' ' ' LEU . 42.6 t -123.31 118.09 26.75 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.492 1.12 . . . . 0.0 108.275 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -55.47 161.25 3.08 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.437 ' HA ' ' CG ' ' A' ' 45' ' ' ASN . 18.4 Cg_endo -74.93 133.94 17.33 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.486 1.782 . . . . 0.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.1 32.2 56.59 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -140.39 177.83 7.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 1.8 p -138.83 137.29 36.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.165 . . . . 0.0 109.977 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.75 HG22 ' HB2' ' A' ' 43' ' ' LEU . 1.1 tt -105.06 168.89 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.425 1.078 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.438 ' OD2' ' CD1' ' A' ' 81' ' ' ILE . 1.4 p-10 -127.25 123.19 35.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.956 HG21 HG21 ' A' ' 55' ' ' VAL . 6.3 mm -118.44 105.85 18.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.358 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.754 HG23 ' HD2' ' A' ' 38' ' ' LYS . 2.2 mp -79.06 141.77 14.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.251 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.529 ' CG1' ' CZ ' ' A' ' 96' ' ' PHE . 93.0 t -136.82 98.86 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.339 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -111.53 120.19 43.22 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.006 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 162.88 36.49 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.509 1.794 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -54.94 163.65 0.97 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.552 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -96.54 78.89 0.73 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 155.96 -70.16 0.28 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.869 HD12 ' N ' ' A' ' 89' ' ' THR . 1.9 pp -64.3 -28.71 69.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 0.782 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.869 ' N ' HD12 ' A' ' 88' ' ' LEU . 2.1 t 46.45 -176.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.393 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.746 HG23 ' OD2' ' A' ' 94' ' ' ASP . 2.5 p -75.52 123.09 30.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.256 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.448 ' O ' ' HB2' ' A' ' 92' ' ' ALA . 52.4 m -66.0 -86.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 110.038 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.448 ' HB2' ' O ' ' A' ' 91' ' ' SER . . . 178.4 -39.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.251 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -82.18 -8.57 59.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.746 ' OD2' HG23 ' A' ' 90' ' ' VAL . 1.6 m-20 -54.51 141.09 32.4 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 5.0 tpp180 -130.67 137.84 49.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.529 ' CZ ' ' CG1' ' A' ' 82' ' ' VAL . 18.5 m-85 -114.85 105.05 12.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.693 HD11 ' HB3' ' A' ' 128' ' ' GLU . 51.1 tp -83.98 148.2 27.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.712 ' CD1' HD12 ' A' ' 131' ' ' LEU . 2.8 mt -137.63 115.83 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.422 ' O ' ' HA ' ' A' ' 53' ' ' PHE . 15.2 mtp -88.19 152.51 21.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -161.29 117.69 2.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.799 ' HB1' HG21 ' A' ' 121' ' ' VAL . . . -133.09 135.35 45.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.757 ' HA ' HG22 ' A' ' 51' ' ' VAL . 0.9 OUTLIER -70.18 124.37 23.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.564 ' HG2' ' CE2' ' A' ' 117' ' ' PHE . 0.0 OUTLIER -90.07 172.14 9.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.09 . . . . 0.0 111.018 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -72.08 -143.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.26 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -70.72 -162.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.1 m -53.14 104.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.984 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.2 m -127.18 154.72 44.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.01 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -76.94 140.08 24.39 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 76.9 p -94.65 31.84 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.434 0.726 . . . . 0.0 110.39 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -74.84 -178.07 40.34 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.457 1.098 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -14.28 21.17 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.453 1.765 . . . . 0.0 111.015 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -90.43 -72.98 0.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 112' ' ' ALA . 2.5 mm-40 -36.73 -46.38 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.282 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.406 ' C ' ' N ' ' A' ' 116' ' ' GLN . 70.6 mt -60.59 -64.04 1.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -43.79 -26.42 0.25 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 109.963 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.406 ' N ' ' C ' ' A' ' 114' ' ' LEU . 1.1 tt0 -81.39 -54.24 5.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.813 ' O ' HG12 ' A' ' 121' ' ' VAL . 19.0 t80 -56.88 -32.74 66.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 111.011 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . 0.537 ' CD1' ' HE3' ' A' ' 54' ' ' LYS . 85.4 m95 -76.98 -12.16 59.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 108.002 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.45 -26.7 15.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.409 ' CG ' ' N ' ' A' ' 121' ' ' VAL . 0.4 OUTLIER -91.52 -42.64 10.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.302 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.813 HG12 ' O ' ' A' ' 117' ' ' PHE . 9.1 p -69.36 121.56 82.53 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 109.342 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.499 ' HG2' ' CG ' ' A' ' 125' ' ' LYS . 18.3 Cg_endo -75.0 155.73 42.93 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.522 1.801 . . . . 0.0 111.023 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.89 -28.92 66.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 110.321 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -66.09 -30.02 70.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.265 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.499 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 36.6 mmtt -90.39 -19.81 23.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 122' ' ' PRO . 50.2 t -75.01 123.38 30.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . 0.411 ' SD ' ' HD2' ' A' ' 17' ' ' PRO . 37.7 ttp -93.59 118.15 31.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.693 ' HB3' HD11 ' A' ' 97' ' ' LEU . 15.5 mt-10 -104.89 126.89 52.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.276 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . 0.753 ' CE1' ' CG ' ' A' ' 14' ' ' PHE . 41.4 t60 -126.13 112.19 15.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.61 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.415 ' HG3' HD13 ' A' ' 97' ' ' LEU . 7.9 mtp180 -87.53 127.83 35.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.254 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.793 HD23 ' HA ' ' A' ' 25' ' ' GLU . 0.4 OUTLIER -104.45 149.96 24.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.443 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -125.43 153.51 43.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 110.288 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 19.8 p -84.44 161.41 20.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 108.326 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.524 ' O ' HG23 ' A' ' 136' ' ' VAL . 0.1 OUTLIER -124.38 71.91 1.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.593 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.407 ' H ' HG23 ' A' ' 135' ' ' THR . 43.3 p -55.63 130.65 43.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.387 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 134' ' ' HIS . 73.7 t -137.95 144.07 31.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -70.5 134.77 48.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.243 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 15.7 t -77.79 154.4 31.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.544 1.153 . . . . 0.0 110.013 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 88.2 p -109.83 69.59 0.7 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.142 . . . . 0.0 110.021 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 141' ' ' PRO . 0.1 OUTLIER -139.63 128.49 13.62 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 140' ' ' LYS . 18.3 Cg_endo -74.99 73.54 4.28 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.529 1.805 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -156.94 -61.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 3.2 t -101.77 174.95 5.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 110.002 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.6 pp -167.87 135.13 2.22 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.115 . . . . 0.0 109.26 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -166.47 86.61 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.578 1.174 . . . . 0.0 111.014 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -47.02 -61.92 1.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 74.6 m 63.87 101.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.127 . . . . 0.0 110.016 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -42.42 121.56 2.8 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 164.07 34.12 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.506 1.792 . . . . 0.0 111.016 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 6.9 t -114.76 145.07 42.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.041 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 1.1 m -93.91 81.94 4.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.115 . . . . 0.0 110.027 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.469 1.106 . . . . 0.0 110.993 -179.986 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 62.38 151.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 0.76 . . . . 0.0 110.043 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.3 p -176.67 91.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.964 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.27 -65.13 2.68 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.69 145.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 0.743 . . . . 0.0 110.023 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.1 m -154.92 89.57 1.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.996 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.76 -137.37 2.46 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.481 1.113 . . . . 0.0 111.019 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.22 70.58 0.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 0.774 . . . . 0.0 109.296 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.7 mtmm 63.73 154.87 0.12 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 0.0 109.266 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 120.06 5.93 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.555 1.818 . . . . 0.0 111.003 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -125.93 67.89 1.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.2 m -89.14 152.4 21.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.995 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.572 HG22 ' HE3' ' A' ' 15' ' ' LYS . 0.8 OUTLIER -124.8 146.86 29.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.25 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.704 ' CG ' ' CE1' ' A' ' 129' ' ' HIS . 23.6 t80 -74.2 96.64 2.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.961 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.599 ' HG3' ' CE1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -58.67 95.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.476 ' H ' ' CD2' ' A' ' 20' ' ' HIS . . . -88.91 152.56 23.04 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.44 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.3 Cg_endo -75.02 -18.31 18.79 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.496 1.788 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.499 ' HA ' ' CG2' ' A' ' 47' ' ' THR . 10.8 mt -116.64 -76.34 0.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.784 HD21 ' HB3' ' A' ' 72' ' ' CYS . 0.0 OUTLIER -114.61 134.64 54.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.687 ' NE2' HG11 ' A' ' 46' ' ' VAL . 13.1 m170 -79.82 156.28 27.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.6 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.637 HG21 ' HD2' ' A' ' 129' ' ' HIS . 1.4 mm -128.09 123.7 61.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.445 ' HA ' ' HA ' ' A' ' 23' ' ' PRO . 0.1 OUTLIER -133.14 126.98 19.81 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.005 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.445 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 18.2 Cg_endo -75.03 -179.85 28.15 Favored 'Cis proline' 0 C--N 1.359 1.118 0 C-N-CA 121.005 -2.498 . . . . 0.0 110.979 0.008 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.55 -85.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.636 ' HA ' HD23 ' A' ' 131' ' ' LEU . 0.0 OUTLIER -143.35 59.54 1.4 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -162.17 105.03 1.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.326 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.631 ' HG ' HD22 ' A' ' 131' ' ' LEU . 36.6 mt -99.66 142.74 30.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.548 ' CD1' ' HB3' ' A' ' 134' ' ' HIS . 1.5 m-85 -130.32 91.78 3.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.622 ' CD2' HG11 ' A' ' 90' ' ' VAL . 22.2 m-85 -76.62 -178.08 4.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 110.978 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.434 ' CA ' ' HB2' ' A' ' 37' ' ' LYS . . . -77.39 125.59 7.41 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.9 t -74.79 153.94 38.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 0.77 . . . . 0.0 110.007 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.855 HG23 ' HG3' ' A' ' 33' ' ' GLU . 0.9 OUTLIER -54.3 -177.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.855 ' HG3' HG23 ' A' ' 32' ' ' ILE . 11.9 mt-10 68.27 -66.26 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 32' ' ' ILE . 0.2 OUTLIER -74.02 -5.16 39.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.426 1.079 . . . . 0.0 109.976 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.58 142.05 8.95 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.41 150.25 40.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 0.776 . . . . 0.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.434 ' HB2' ' CA ' ' A' ' 30' ' ' GLY . 0.3 OUTLIER -123.92 -173.94 2.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 109.29 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.559 ' HD3' HG23 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -123.64 141.51 51.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.514 HG22 ' CE1' ' A' ' 29' ' ' PHE . 14.5 t -103.81 132.81 49.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.374 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.656 HD12 ' N ' ' A' ' 41' ' ' ILE . 2.8 tp -112.89 120.96 43.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.338 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.656 ' N ' HD12 ' A' ' 40' ' ' LEU . 16.0 mt -89.84 148.59 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.7 t -116.09 133.74 61.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.877 ' HB2' HG22 ' A' ' 78' ' ' ILE . 29.9 mt -122.89 107.5 11.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.81 105.1 16.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.426 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.669 ' OD1' HD22 ' A' ' 19' ' ' LEU . 10.3 t-20 -69.95 110.7 5.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.687 HG11 ' NE2' ' A' ' 20' ' ' HIS . 13.1 m -99.93 36.72 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.499 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 1.6 p -119.49 165.9 13.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.408 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.34 20.38 11.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -154.15 156.13 36.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.357 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.512 HD12 ' OG ' ' A' ' 107' ' ' SER . 45.2 mt -56.09 148.58 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.931 HG22 ' HA ' ' A' ' 102' ' ' GLU . 54.9 t -136.27 121.82 28.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.53 ' HB3' ' CE2' ' A' ' 117' ' ' PHE . . . -78.85 122.0 25.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.875 ' CE2' HD13 ' A' ' 78' ' ' ILE . 31.8 p90 -113.46 150.56 32.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.584 ' HG3' ' CZ2' ' A' ' 118' ' ' TRP . 7.3 mttt -144.2 126.88 16.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.897 HG21 HG21 ' A' ' 80' ' ' ILE . 48.8 t -105.63 120.16 55.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.493 ' CD ' ' SD ' ' A' ' 99' ' ' MET . 0.0 OUTLIER -124.52 172.58 9.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.329 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.512 HG23 ' H ' ' A' ' 59' ' ' ALA . 5.0 t -159.83 171.27 19.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.42 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.9 p -87.38 20.56 2.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.392 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.785 ' HB1' ' HD3' ' A' ' 62' ' ' LYS . . . -168.91 74.1 0.76 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -16.84 19.94 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.525 1.802 . . . . 0.0 110.966 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -95.9 28.25 3.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.311 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.8 ' HG2' HD22 ' A' ' 88' ' ' LEU . 2.2 mtpm? -141.83 -48.87 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.403 ' CE2' ' CG ' ' A' ' 94' ' ' ASP . 40.1 m-85 -101.85 125.93 48.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.957 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.49 105.05 17.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.517 HG11 ' CG1' ' A' ' 55' ' ' VAL . 9.6 t -100.85 128.47 52.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.503 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.3 OUTLIER -162.53 131.73 3.11 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.663 ' HD2' HD13 ' A' ' 80' ' ' ILE . 18.2 Cg_endo -75.0 132.91 29.16 Favored 'Cis proline' 0 C--N 1.361 1.185 0 C-N-CA 120.941 -2.525 . . . . 0.0 111.006 -0.075 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.423 ' N ' ' HA ' ' A' ' 66' ' ' LYS . 82.0 p -113.02 41.11 2.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.03 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.8 t30 169.01 78.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.46 -165.44 1.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.01 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 86.2 p -137.52 151.64 48.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.02 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.784 ' HB3' HD21 ' A' ' 19' ' ' LEU . 50.9 t -111.59 121.66 45.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 108.312 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.78 162.19 17.79 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.258 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 145.58 31.74 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.519 1.799 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 65.69 30.43 77.29 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.439 1.087 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -141.43 -179.72 6.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 0.744 . . . . 0.0 109.331 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.422 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 2.3 p -143.15 136.47 28.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.016 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.877 HG22 ' HB2' ' A' ' 43' ' ' LEU . 1.3 tt -105.29 171.38 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.645 ' HB2' HD11 ' A' ' 40' ' ' LEU . 5.3 p-10 -131.92 119.25 20.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.897 HG21 HG21 ' A' ' 55' ' ' VAL . 7.3 mm -110.83 97.04 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.559 HG23 ' HD3' ' A' ' 38' ' ' LYS . 3.2 mp -71.35 140.58 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.613 HG11 ' CZ ' ' A' ' 96' ' ' PHE . 53.4 t -133.87 121.18 38.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.426 ' HB2' ' CB ' ' A' ' 38' ' ' LYS . 10.3 t -146.23 139.37 14.43 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.049 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 171.58 18.04 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.437 1.756 . . . . 0.0 110.979 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.559 ' H ' HD11 ' A' ' 88' ' ' LEU . 13.1 m-70 -80.19 177.3 9.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.611 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -93.09 50.61 2.48 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.457 1.098 . . . . 0.0 110.979 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -178.11 36.56 0.08 OUTLIER Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.8 HD22 ' HG2' ' A' ' 62' ' ' LYS . 0.9 OUTLIER -175.15 -177.27 1.03 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 0.787 . . . . 0.0 109.272 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.8 t -145.54 171.87 14.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.123 . . . . 0.0 110.378 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.622 HG11 ' CD2' ' A' ' 29' ' ' PHE . 2.6 p -95.15 114.12 31.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.8 m -79.64 -175.56 4.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.964 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.407 ' CB ' ' HA ' ' A' ' 138' ' ' SER . . . -91.95 -22.09 20.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.355 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -80.9 -32.95 34.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.316 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.403 ' CG ' ' CE2' ' A' ' 63' ' ' TYR . 4.2 t0 -48.15 108.05 0.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.01 149.75 23.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.271 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.613 ' CZ ' HG11 ' A' ' 82' ' ' VAL . 9.4 m-85 -113.5 151.01 32.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.456 1.097 . . . . 0.0 111.033 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.733 HD23 ' HD2' ' A' ' 130' ' ' ARG . 3.3 tm? -131.96 138.87 48.48 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.801 ' CD1' HD12 ' A' ' 131' ' ' LEU . 3.4 mt -134.73 126.96 48.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.493 ' SD ' ' CD ' ' A' ' 56' ' ' ARG . 11.9 mtp -104.89 155.65 18.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.502 ' HB1' ' HB2' ' A' ' 19' ' ' LEU . . . -161.29 118.95 2.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.557 ' HB1' HG21 ' A' ' 121' ' ' VAL . . . -132.09 131.93 42.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.931 ' HA ' HG22 ' A' ' 51' ' ' VAL . 1.2 tt0 -69.27 114.56 7.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.587 ' HG2' ' CE1' ' A' ' 117' ' ' PHE . 0.0 OUTLIER -86.66 172.31 10.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 111.007 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -71.14 -143.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -90.85 -76.12 0.45 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.343 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.72 104.13 1.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.16 . . . . 0.0 110.02 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.512 ' OG ' HD12 ' A' ' 50' ' ' ILE . 28.9 p -118.19 125.29 49.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.024 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 109' ' ' THR . . . -86.47 -9.44 75.64 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.455 1.097 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 108' ' ' GLY . 30.4 p 36.44 58.45 1.03 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 0.787 . . . . 0.0 110.407 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -123.05 -161.88 11.33 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -47.68 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.456 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -74.85 -63.63 1.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 112' ' ' ALA . 0.3 OUTLIER -34.78 -54.26 0.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 110.287 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 117' ' ' PHE . 77.7 mt -59.66 -62.05 2.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.508 ' O ' ' CG ' ' A' ' 119' ' ' LYS . 0.6 OUTLIER -46.77 -35.36 6.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.967 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.519 ' HA ' ' CG ' ' A' ' 119' ' ' LYS . 2.3 mt-30 -72.21 -32.9 67.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.633 ' O ' HG12 ' A' ' 121' ' ' VAL . 18.1 t80 -85.21 -25.88 27.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . 0.608 ' HA ' HG12 ' A' ' 121' ' ' VAL . 59.9 m95 -84.81 -23.0 29.3 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.519 ' CG ' ' HA ' ' A' ' 116' ' ' GLN . 0.0 OUTLIER -88.52 -26.5 21.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.408 ' CG ' ' HD2' ' A' ' 119' ' ' LYS . 2.1 mt-10 -88.52 -37.39 15.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.633 HG12 ' O ' ' A' ' 117' ' ' PHE . 9.1 p -69.28 124.8 91.21 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.477 ' HG2' ' CG ' ' A' ' 125' ' ' LYS . 18.3 Cg_endo -75.01 153.31 41.65 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.453 1.765 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -16.97 10.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 110.284 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -79.16 -21.09 46.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.477 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 20.4 mmtt -103.94 -12.4 16.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.601 HG12 ' HG3' ' A' ' 128' ' ' GLU . 25.4 t -79.11 104.95 7.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . 0.475 ' HB2' HD12 ' A' ' 18' ' ' LEU . 27.5 ttp -80.21 102.0 9.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.651 ' HB3' HD21 ' A' ' 97' ' ' LEU . 51.8 mt-10 -100.82 127.42 47.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . 0.704 ' CE1' ' CG ' ' A' ' 14' ' ' PHE . 75.9 t60 -128.23 111.64 13.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.649 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.733 ' HD2' HD23 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -82.05 141.1 33.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.31 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.801 HD12 ' CD1' ' A' ' 98' ' ' ILE . 0.3 OUTLIER -116.17 147.11 41.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -96.84 162.87 13.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.36 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 96.7 m -119.0 114.71 22.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 108.259 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.548 ' HB3' ' CD1' ' A' ' 28' ' ' TYR . 0.4 OUTLIER -94.8 101.48 13.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.617 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.425 ' OG1' ' N ' ' A' ' 136' ' ' VAL . 0.7 OUTLIER -140.18 172.31 12.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.368 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.425 ' N ' ' OG1' ' A' ' 135' ' ' THR . 34.2 m -62.69 -176.7 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 69.67 -73.54 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . 0.407 ' HA ' ' CB ' ' A' ' 92' ' ' ALA . 70.1 m 62.66 169.33 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.011 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 53.9 p -53.48 175.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.005 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 4.1 mttp 62.52 110.74 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 177.89 7.98 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.478 1.778 . . . . 0.0 111.058 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -40.81 159.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.02 -58.45 6.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.11 . . . . 0.0 109.986 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.8 pp -143.4 173.42 11.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.5 ttm -172.41 127.13 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 111.002 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.48 -65.53 1.0 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 4.7 t 40.32 91.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.0 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 174.17 145.32 5.17 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.474 1.109 . . . . 0.0 110.986 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -59.0 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.469 1.773 . . . . 0.0 110.997 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 32.6 t 66.57 116.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.975 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 85.5 p -144.45 153.41 41.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.008 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.6 m -92.79 83.58 4.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 0.738 . . . . 0.0 110.019 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 t -114.6 147.44 39.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.98 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.93 127.36 5.51 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.56 1.162 . . . . 0.0 110.994 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.42 126.38 23.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 0.755 . . . . 0.0 110.016 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.6 p -145.7 112.52 5.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.007 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.83 159.97 22.85 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.53 1.143 . . . . 0.0 110.948 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -86.37 131.79 34.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 0.757 . . . . 0.0 109.331 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.09 151.35 12.96 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.356 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 119.66 5.74 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.503 1.791 . . . . 0.0 110.978 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.67 91.13 8.27 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.4 m -75.11 152.61 38.52 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.988 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.599 HG22 ' HE3' ' A' ' 15' ' ' LYS . 0.6 OUTLIER -130.25 143.88 39.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.268 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -73.82 96.47 2.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 0.0 111.02 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.61 ' HG3' ' CE1' ' A' ' 20' ' ' HIS . 0.1 OUTLIER -57.54 100.21 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.471 ' H ' ' CD2' ' A' ' 20' ' ' HIS . . . -89.75 154.57 24.05 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.41 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.3 Cg_endo -75.0 -20.91 16.39 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.489 1.784 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.558 ' HA ' HG23 ' A' ' 47' ' ' THR . 8.4 mt -117.87 -75.63 0.58 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.718 HD22 ' OD1' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -111.21 134.7 52.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.61 ' CE1' ' HG3' ' A' ' 15' ' ' LYS . 10.9 m170 -79.75 157.39 27.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.587 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.564 HD13 ' CD2' ' A' ' 43' ' ' LEU . 1.4 mm -126.94 124.82 65.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.155 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.479 ' HA ' ' HA ' ' A' ' 23' ' ' PRO . 0.1 OUTLIER -133.05 125.25 18.95 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.988 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.479 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 18.2 Cg_endo -74.98 -165.29 4.06 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 121.019 -2.492 . . . . 0.0 110.989 -0.002 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.17 -89.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.5 ' O ' ' CG ' ' A' ' 132' ' ' ARG . 0.1 OUTLIER -136.62 63.72 1.57 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 110.337 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -162.72 104.71 1.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.299 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 1.004 ' HG ' HG21 ' A' ' 39' ' ' THR . 1.5 tp -98.41 120.48 38.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -111.97 104.94 13.24 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.508 ' CZ ' HD23 ' A' ' 27' ' ' LEU . 95.3 m-85 -91.69 91.66 8.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 111.031 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 172.63 93.71 0.09 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.7 t -83.85 163.18 20.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 0.793 . . . . 0.0 110.013 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mp -40.94 141.61 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 72.09 -168.39 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -107.2 24.49 12.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 110.007 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.65 -97.57 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -116.04 168.83 9.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 0.743 . . . . 0.0 110.317 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -129.48 65.83 1.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.416 ' CD ' HG23 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -118.97 149.27 41.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 1.004 HG21 ' HG ' ' A' ' 27' ' ' LEU . 7.4 t -115.83 160.47 20.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.41 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.58 HD12 ' N ' ' A' ' 41' ' ' ILE . 0.4 OUTLIER -128.49 120.72 27.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.58 ' N ' HD12 ' A' ' 40' ' ' LEU . 51.1 mt -90.17 141.84 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.0 t -116.59 135.84 55.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.842 ' HB2' HG22 ' A' ' 78' ' ' ILE . 14.8 mt -124.37 107.58 11.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.413 ' HB ' ' HB2' ' A' ' 20' ' ' HIS . 1.3 m -97.11 106.53 18.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.387 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.718 ' OD1' HD22 ' A' ' 19' ' ' LEU . 19.0 t30 -73.89 97.74 2.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.496 HG11 ' NE2' ' A' ' 20' ' ' HIS . 16.3 m -70.45 -38.43 73.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.558 HG23 ' HA ' ' A' ' 18' ' ' LEU . 5.8 p -49.23 163.11 0.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 110.409 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.03 20.88 15.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.592 ' O ' HG23 ' A' ' 51' ' ' VAL . 9.9 m-80 -144.92 137.67 26.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.411 HD12 ' HB2' ' A' ' 107' ' ' SER . 95.4 mt -39.51 145.75 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.934 HG22 ' HA ' ' A' ' 102' ' ' GLU . 48.4 t -137.88 123.63 25.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.59 126.82 33.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.712 ' CE2' HD13 ' A' ' 78' ' ' ILE . 52.1 p90 -118.0 165.72 13.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 110.988 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.574 ' HG3' ' CZ2' ' A' ' 118' ' ' TRP . 31.3 mttt -154.05 130.48 10.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.649 HG21 HG21 ' A' ' 80' ' ' ILE . 89.8 t -109.15 116.04 51.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.507 ' CD ' ' SD ' ' A' ' 99' ' ' MET . 0.0 OUTLIER -127.92 173.12 10.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.27 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.503 HG23 ' H ' ' A' ' 59' ' ' ALA . 3.7 t -161.29 173.89 14.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.369 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.3 p -86.72 19.3 2.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.368 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.503 ' H ' HG23 ' A' ' 57' ' ' THR . . . -164.9 75.08 1.47 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -25.8 11.7 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.567 1.825 . . . . 0.0 111.056 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -91.54 32.99 1.03 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 110.335 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 85' ' ' HIS . 14.5 mtpt -142.83 -48.98 0.34 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.459 ' HE1' HG22 ' A' ' 90' ' ' VAL . 61.3 m-85 -104.19 123.65 47.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.7 mtm-85 -81.35 105.61 12.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.638 HG11 ' CG1' ' A' ' 55' ' ' VAL . 3.7 t -107.14 127.26 63.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.5 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.0 OUTLIER -163.99 131.22 2.48 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.717 ' HD2' HD13 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -74.99 141.27 71.28 Favored 'Cis proline' 0 C--N 1.359 1.111 0 C-N-CA 120.975 -2.51 . . . . 0.0 111.001 -0.057 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.423 ' HB3' ' O ' ' A' ' 65' ' ' VAL . 24.2 p -113.22 31.49 6.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.029 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 171.86 92.41 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.11 . . . . 0.0 109.269 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.03 -165.94 0.96 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.019 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.7 p -137.62 147.6 45.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.486 ' HB3' HD21 ' A' ' 19' ' ' LEU . 51.2 t -115.02 120.17 38.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 108.297 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -58.03 164.46 3.38 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.244 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.407 ' HA ' ' HB3' ' A' ' 45' ' ' ASN . 18.3 Cg_endo -74.97 140.38 25.45 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.568 1.825 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.65 28.2 72.47 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.45 1.094 . . . . 0.0 111.002 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -133.61 -178.39 4.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 2.9 p -142.16 139.52 32.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.974 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.842 HG22 ' HB2' ' A' ' 43' ' ' LEU . 0.5 OUTLIER -105.86 169.26 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -130.63 115.0 16.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.717 HD13 ' HD2' ' A' ' 67' ' ' PRO . 2.5 mm -114.65 110.34 31.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.416 HG23 ' CD ' ' A' ' 38' ' ' LYS . 2.4 mp -82.66 145.79 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.707 HG11 ' CZ ' ' A' ' 96' ' ' PHE . 54.5 t -138.57 97.5 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.7 t -117.42 128.28 26.11 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.582 1.176 . . . . 0.0 110.034 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 85' ' ' HIS . 18.4 Cg_endo -75.0 157.1 42.96 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.518 1.799 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.439 ' HB2' HD11 ' A' ' 88' ' ' LEU . 0.1 OUTLIER -48.43 175.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.594 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -110.24 66.79 0.23 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.451 1.094 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 179.32 -62.73 0.08 OUTLIER Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.554 ' C ' ' CD2' ' A' ' 88' ' ' LEU . 0.0 OUTLIER -71.27 -171.31 0.58 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 0.738 . . . . 0.0 109.275 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 71.6 p -110.42 -168.52 1.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.426 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.459 HG22 ' HE1' ' A' ' 63' ' ' TYR . 3.4 t -103.13 -12.73 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.3 t 56.26 172.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.975 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -121.93 12.98 10.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -111.36 -30.81 7.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.293 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.406 ' OD2' ' CE2' ' A' ' 63' ' ' TYR . 14.1 t70 -51.41 161.83 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -149.22 149.63 31.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.707 ' CZ ' HG11 ' A' ' 82' ' ' VAL . 23.1 m-85 -109.56 154.37 22.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.157 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.714 HD11 ' HG3' ' A' ' 99' ' ' MET . 1.4 tm? -134.62 142.6 46.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.792 ' CD1' HD12 ' A' ' 131' ' ' LEU . 3.8 mt -136.87 125.9 36.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.268 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.714 ' HG3' HD11 ' A' ' 97' ' ' LEU . 6.6 mtp -106.87 154.84 20.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.545 ' HB1' ' HB2' ' A' ' 19' ' ' LEU . . . -162.01 118.57 2.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.743 ' HB2' HG23 ' A' ' 126' ' ' VAL . . . -129.83 131.1 46.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.934 ' HA ' HG22 ' A' ' 51' ' ' VAL . 0.9 OUTLIER -70.15 127.47 32.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.263 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.573 ' HG2' ' CE1' ' A' ' 117' ' ' PHE . 12.6 mtp -88.12 171.41 10.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -72.5 -143.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -80.77 -70.59 0.52 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.343 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.07 121.14 26.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 110.038 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.421 ' O ' HG23 ' A' ' 109' ' ' THR . 6.3 m -120.45 114.06 21.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.002 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 109' ' ' THR . . . -70.18 -18.19 74.65 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 108' ' ' GLY . 36.6 p 36.07 71.29 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 0.741 . . . . 0.0 110.391 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.7 ' O ' HD12 ' A' ' 114' ' ' LEU . . . -141.78 -171.18 12.78 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.503 1.127 . . . . 0.0 110.96 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -23.82 13.42 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.552 1.817 . . . . 0.0 111.018 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -92.14 -67.31 0.86 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -39.9 -45.82 1.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.269 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.7 HD12 ' O ' ' A' ' 110' ' ' GLY . 82.1 mt -62.77 -64.11 1.02 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.6 t -46.7 -33.0 3.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.984 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.525 ' HA ' ' CG ' ' A' ' 119' ' ' LYS . 1.3 mt-30 -80.54 -31.33 37.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 110.322 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.663 ' O ' HG12 ' A' ' 121' ' ' VAL . 87.1 t80 -84.66 -20.19 31.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . 0.907 ' CZ3' HG21 ' A' ' 126' ' ' VAL . 55.2 m95 -90.36 -25.82 20.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 107.999 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.525 ' CG ' ' HA ' ' A' ' 116' ' ' GLN . 0.0 OUTLIER -84.43 -22.39 30.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -93.39 -42.56 9.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.663 HG12 ' O ' ' A' ' 117' ' ' PHE . 9.8 p -69.82 119.39 71.02 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.6 ' O ' HG12 ' A' ' 126' ' ' VAL . 18.2 Cg_endo -75.04 167.92 25.95 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.444 1.76 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.554 ' HA ' HG12 ' A' ' 126' ' ' VAL . 0.0 OUTLIER -76.16 1.34 16.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -101.07 -13.84 18.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.515 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 29.3 mmtt -104.15 -26.96 12.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.907 HG21 ' CZ3' ' A' ' 118' ' ' TRP . 11.7 p -94.39 140.85 15.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . 0.451 ' HG2' ' N ' ' A' ' 128' ' ' GLU . 66.6 ttp -80.31 157.36 26.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.451 ' N ' ' HG2' ' A' ' 127' ' ' MET . 62.5 mt-10 -143.89 110.4 5.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . 0.471 ' HD2' HG21 ' A' ' 21' ' ' ILE . 70.7 t60 -121.77 116.15 23.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.61 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.673 ' HD2' HD23 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -88.35 138.24 31.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.309 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.792 HD22 HD13 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -110.09 145.93 36.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.5 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 3.4 ptt180 -113.57 142.95 45.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 110.315 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 25.4 p -88.34 135.01 33.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 108.297 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -92.19 106.67 18.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.607 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 68.2 p -129.88 137.38 50.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.368 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.463 ' O ' HG23 ' A' ' 136' ' ' VAL . 27.8 m -103.05 71.77 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -63.01 -58.77 6.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 28.3 m 39.7 90.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.98 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.19 154.95 43.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.014 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.86 151.38 4.12 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -176.61 2.95 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.471 1.774 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 1.4 m120 55.68 167.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 56.7 p -144.84 114.83 7.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.979 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 5.4 tp -170.5 67.6 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -175.1 163.14 3.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -138.75 102.68 4.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 8.4 t -177.78 161.2 1.6 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.476 1.11 . . . . 0.0 109.971 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 100.01 83.63 1.75 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 111.028 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 169.44 22.61 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.512 1.796 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 3.9 m -42.46 162.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.024 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 7.5 t -62.51 101.83 0.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.017 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 -179.986 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.11 159.86 37.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 0.757 . . . . 0.0 110.016 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t 61.68 94.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.971 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.62 -110.27 2.65 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.4 p -85.54 -62.31 1.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.759 . . . . 0.0 109.947 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 68.18 156.04 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.991 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.13 -155.71 20.44 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.131 . . . . 0.0 110.959 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.34 172.15 10.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.4 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 0.0 OUTLIER -91.71 142.73 26.99 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 9' ' ' LYS . 18.4 Cg_endo -74.99 128.91 11.87 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.539 1.81 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.23 96.8 8.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.4 m -108.7 133.86 52.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 109.993 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.49 HG22 ' CE ' ' A' ' 15' ' ' LYS . 0.6 OUTLIER -129.12 141.15 47.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -73.58 96.39 2.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.586 ' HD3' ' CE1' ' A' ' 20' ' ' HIS . 9.2 mmtp -58.92 104.92 0.27 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.359 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.489 ' H ' ' CD2' ' A' ' 20' ' ' HIS . . . -95.35 155.71 21.44 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.442 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.3 Cg_endo -75.03 -17.97 19.04 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.542 1.812 . . . . 0.0 110.97 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.627 ' HA ' HG23 ' A' ' 47' ' ' THR . 3.8 mt -119.88 -75.13 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.747 HD22 ' OD1' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -110.02 127.56 54.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.586 ' CE1' ' HD3' ' A' ' 15' ' ' LYS . 9.9 m170 -79.48 124.64 28.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.606 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.904 HG21 ' CD2' ' A' ' 129' ' ' HIS . 1.4 mm -95.03 141.24 15.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.168 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.47 ' O ' HG23 ' A' ' 41' ' ' ILE . 1.2 t -149.07 130.26 7.17 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.085 . . . . 0.0 109.998 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.455 ' C ' ' HA ' ' A' ' 22' ' ' SER . 18.5 Cg_endo -74.99 -162.53 2.81 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 121.016 -2.493 . . . . 0.0 110.998 0.015 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.86 -93.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.419 ' HB2' ' CG ' ' A' ' 132' ' ' ARG . 0.7 OUTLIER -129.45 55.05 1.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.576 ' HB2' ' CD2' ' A' ' 134' ' ' HIS . 4.2 pt-20 -163.27 103.42 0.97 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.795 ' HG ' HD12 ' A' ' 131' ' ' LEU . 27.4 mt -97.78 135.25 39.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.457 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 11.0 m-85 -109.46 109.25 20.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.659 ' CG ' HG11 ' A' ' 90' ' ' VAL . 82.5 m-85 -102.71 82.71 2.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 111.02 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.43 ' N ' ' HA ' ' A' ' 37' ' ' LYS . . . 128.13 53.9 0.12 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.472 1.108 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.8 t -120.46 140.43 51.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 0.766 . . . . 0.0 109.997 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.547 HG22 ' HG2' ' A' ' 33' ' ' GLU . 15.6 mm -43.23 147.97 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.547 ' HG2' HG22 ' A' ' 32' ' ' ILE . 2.1 mt-10 85.05 -46.26 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.324 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.29 -17.68 61.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.162 . . . . 0.0 109.968 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.85 -122.43 6.26 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -51.2 -177.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 0.741 . . . . 0.0 110.267 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.43 ' HA ' ' N ' ' A' ' 30' ' ' GLY . 9.3 mttt -83.45 52.05 2.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.434 ' HG2' ' N ' ' A' ' 39' ' ' THR . 0.0 OUTLIER -119.12 145.84 45.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.26 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.575 ' OG1' HD22 ' A' ' 27' ' ' LEU . 8.9 t -109.15 158.9 17.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 110.369 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.506 ' CD1' ' C ' ' A' ' 80' ' ' ILE . 0.8 OUTLIER -132.29 116.66 17.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 109.305 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.919 HD13 HD11 ' A' ' 98' ' ' ILE . 77.0 mt -90.24 139.49 17.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.2 t -114.54 133.03 61.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.359 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.861 ' HB2' HG22 ' A' ' 78' ' ' ILE . 45.6 mt -116.8 101.91 8.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.417 ' C ' HD13 ' A' ' 19' ' ' LEU . 1.0 OUTLIER -93.83 104.35 16.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.385 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.747 ' OD1' HD22 ' A' ' 19' ' ' LEU . 25.8 t30 -75.9 106.23 7.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 18' ' ' LEU . 26.5 m -82.29 -41.54 18.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.627 HG23 ' HA ' ' A' ' 18' ' ' LEU . 2.0 p -46.03 155.46 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.431 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.3 tptt -94.55 28.41 2.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.246 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.571 ' O ' HG23 ' A' ' 51' ' ' VAL . 14.6 m-80 -151.5 134.84 16.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.43 ' CG1' ' HD3' ' A' ' 74' ' ' PRO . 59.1 mt -38.79 148.1 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.979 HG22 ' HA ' ' A' ' 102' ' ' GLU . 54.4 t -139.0 128.35 30.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.374 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.563 ' HB3' ' HE2' ' A' ' 117' ' ' PHE . . . -84.68 133.54 34.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.741 ' CE2' HD13 ' A' ' 78' ' ' ILE . 28.0 p90 -127.06 145.56 50.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 111.056 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.52 ' HD2' ' CE2' ' A' ' 118' ' ' TRP . 17.8 mttt -140.41 128.58 22.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.654 HG13 HG13 ' A' ' 98' ' ' ILE . 25.5 t -106.38 128.67 60.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.466 ' NE ' ' SD ' ' A' ' 99' ' ' MET . 0.0 OUTLIER -137.9 146.41 43.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 110.312 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.3 t -127.04 165.33 19.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.429 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 29.0 p -75.91 -0.36 21.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.344 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.804 ' HB1' ' HD3' ' A' ' 62' ' ' LYS . . . -153.32 75.28 6.57 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 0.23 9.15 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.517 1.798 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -106.22 10.61 31.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.266 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.804 ' HD3' ' HB1' ' A' ' 59' ' ' ALA . 10.5 mtpt -123.47 -47.4 1.98 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -101.55 145.33 29.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.978 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -101.6 101.2 11.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.3 t -98.05 125.14 51.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.259 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.5 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.4 OUTLIER -162.45 131.2 2.98 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.346 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.755 ' HD2' HD13 ' A' ' 80' ' ' ILE . 18.5 Cg_endo -74.97 134.83 37.69 Favored 'Cis proline' 0 C--N 1.359 1.124 0 C-N-CA 121.021 -2.491 . . . . 0.0 110.997 0.05 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.48 ' O ' ' CB ' ' A' ' 69' ' ' ASN . 87.0 p -112.78 50.18 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.018 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.48 ' CB ' ' O ' ' A' ' 68' ' ' SER . 2.1 m-20 156.61 95.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -176.72 -162.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.988 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 94.3 p -136.86 158.28 44.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.987 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 46.0 t -120.0 119.45 33.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 108.328 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -55.1 162.11 2.17 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.43 ' HD3' ' CG1' ' A' ' 50' ' ' ILE . 18.5 Cg_endo -75.01 139.49 24.32 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.466 1.772 . . . . 0.0 111.041 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.47 30.96 73.32 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -135.8 -178.63 5.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 0.745 . . . . 0.0 109.295 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.404 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 2.9 p -144.11 135.72 25.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.966 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.861 HG22 ' HB2' ' A' ' 43' ' ' LEU . 1.0 OUTLIER -104.74 171.46 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -131.59 117.19 18.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.36 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.755 HD13 ' HD2' ' A' ' 67' ' ' PRO . 3.4 mm -113.89 106.03 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.246 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.41 HD12 ' CD1' ' A' ' 40' ' ' LEU . 2.1 mp -78.65 146.63 7.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.676 HG11 ' CZ ' ' A' ' 96' ' ' PHE . 55.7 t -141.15 97.72 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.168 . . . . 0.0 109.266 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -111.4 125.74 29.91 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.162 . . . . 0.0 109.969 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 85' ' ' HIS . 18.4 Cg_endo -74.98 107.21 2.43 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.516 1.798 . . . . 0.0 111.04 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.591 ' CD2' HD21 ' A' ' 88' ' ' LEU . 0.2 OUTLIER 39.61 -158.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.63 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -130.5 39.75 1.76 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.534 1.146 . . . . 0.0 110.984 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -176.03 -55.03 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.591 HD21 ' CD2' ' A' ' 85' ' ' HIS . 4.3 pp -59.18 -167.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.446 ' OG1' ' N ' ' A' ' 90' ' ' VAL . 0.8 OUTLIER -137.6 173.56 11.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 0.0 110.41 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.659 HG11 ' CG ' ' A' ' 29' ' ' PHE . 10.8 p -102.84 138.34 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.7 m -124.15 177.6 5.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 109.976 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -92.7 36.9 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -109.03 -30.37 8.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.27 170.85 8.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.53 157.95 43.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.349 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.676 ' CZ ' HG11 ' A' ' 82' ' ' VAL . 62.7 m-85 -114.26 152.41 31.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 111.023 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.765 HD21 ' HB3' ' A' ' 128' ' ' GLU . 3.4 tm? -133.24 136.93 45.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.919 HD11 HD13 ' A' ' 41' ' ' ILE . 3.2 mt -128.18 138.13 55.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.484 ' HE3' ' CZ3' ' A' ' 118' ' ' TRP . 13.0 mtp -112.58 153.74 27.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.522 ' HB1' ' HB2' ' A' ' 19' ' ' LEU . . . -161.52 119.57 2.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.652 ' HB1' HG21 ' A' ' 121' ' ' VAL . . . -134.98 131.23 36.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.979 ' HA ' HG22 ' A' ' 51' ' ' VAL . 1.6 tt0 -69.87 130.87 43.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.313 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.631 ' CG ' ' CE2' ' A' ' 117' ' ' PHE . 35.3 mtp -98.28 170.94 8.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 111.033 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -77.37 -143.13 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -55.09 -168.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.319 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.6 m -53.09 111.81 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.995 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 83.7 p -87.63 -178.21 6.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.107 . . . . 0.0 109.999 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -107.09 -13.88 20.25 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.473 1.108 . . . . 0.0 110.966 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 80.2 p 45.2 70.06 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.773 . . . . 0.0 110.402 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.418 ' O ' ' CG ' ' A' ' 114' ' ' LEU . . . -135.23 -168.83 11.72 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.544 1.152 . . . . 0.0 111.031 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -20.73 16.54 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.492 1.785 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -92.45 -70.95 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 112' ' ' ALA . 2.9 mm-40 -37.7 -45.63 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 110.295 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 117' ' ' PHE . 79.1 mt -61.12 -65.95 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.337 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.492 ' O ' ' CG ' ' A' ' 119' ' ' LYS . 0.2 OUTLIER -49.47 -28.29 5.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.957 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.521 ' HA ' ' CG ' ' A' ' 119' ' ' LYS . 2.2 mt-30 -82.51 -30.21 29.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.311 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.631 ' CE2' ' CG ' ' A' ' 103' ' ' MET . 29.7 t80 -86.65 -24.17 25.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 111.071 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . 0.583 ' HA ' HG12 ' A' ' 121' ' ' VAL . 54.5 m95 -87.65 -20.99 25.55 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.516 1.135 . . . . 0.0 108.022 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.521 ' CG ' ' HA ' ' A' ' 116' ' ' GLN . 0.0 OUTLIER -89.85 -26.52 20.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.463 ' CG ' ' HD2' ' A' ' 119' ' ' LYS . 2.6 mt-10 -88.71 -38.99 14.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.336 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.652 HG21 ' HB1' ' A' ' 101' ' ' ALA . 7.2 p -68.29 124.75 90.51 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.484 ' HG2' ' CG ' ' A' ' 125' ' ' LYS . 18.4 Cg_endo -74.93 144.24 30.29 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.485 1.782 . . . . 0.0 111.028 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.518 ' CD ' ' N ' ' A' ' 124' ' ' ASN . 0.0 OUTLIER -49.3 -19.89 0.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 110.278 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.518 ' N ' ' CD ' ' A' ' 123' ' ' ARG . 2.5 t30 -73.88 -33.13 63.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.35 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.484 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 24.7 mmtt -93.73 0.19 56.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.25 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.494 HG13 ' HZ3' ' A' ' 118' ' ' TRP . 74.8 t -94.1 107.94 19.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . 0.442 ' SD ' ' HD2' ' A' ' 17' ' ' PRO . 39.9 ttp -83.65 113.03 20.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 111.016 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.765 ' HB3' HD21 ' A' ' 97' ' ' LEU . 16.5 mt-10 -106.81 127.69 53.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . 0.904 ' CD2' HG21 ' A' ' 21' ' ' ILE . 71.8 t60 -120.62 128.3 52.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.592 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.574 ' HD2' HD23 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -100.37 118.68 37.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.148 . . . . 0.0 110.306 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.795 HD12 ' HG ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -92.52 142.7 27.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 27' ' ' LEU . 2.5 mmt85 -105.95 160.06 15.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.27 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 11.4 t -98.69 135.05 40.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 108.29 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.576 ' CD2' ' HB2' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -103.51 100.3 10.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.571 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 8.7 p -86.11 127.9 34.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.409 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 17.6 m -107.87 68.8 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -155.7 169.98 23.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 22.0 m -159.8 118.77 2.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.023 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 75.4 m 63.18 154.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 110.012 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -158.35 172.74 5.75 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 80.1 2.52 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.501 1.79 . . . . 0.0 110.98 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 43.99 88.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 3.7 t -174.46 66.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 109.987 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.694 HD23 ' H ' ' A' ' 145' ' ' MET . 0.4 OUTLIER -160.9 -44.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.694 ' H ' HD23 ' A' ' 144' ' ' LEU . 0.0 OUTLIER 65.87 137.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.988 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 35.3 mt -47.79 97.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.81 133.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.998 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 113.96 104.01 2.58 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.476 1.11 . . . . 0.0 110.966 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.99 168.88 23.86 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.532 1.807 . . . . 0.0 111.023 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.69 150.66 46.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.997 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.54 166.61 32.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 0.0 110.047 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 -180.0 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m 46.34 84.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 0.751 . . . . 0.0 109.993 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.4 m -154.37 150.37 27.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.983 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.24 152.0 5.54 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.48 1.112 . . . . 0.0 110.953 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m -92.44 153.94 18.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 0.797 . . . . 0.0 110.04 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 62.2 169.47 0.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.147 . . . . 0.0 109.991 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.69 -121.8 1.34 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.504 1.128 . . . . 0.0 110.989 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.2 mttt 69.78 161.67 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 0.78 . . . . 0.0 109.32 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.19 161.69 23.36 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 116.46 4.6 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.501 1.79 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -167.1 105.11 0.56 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.3 m -135.69 151.24 49.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 110.006 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.602 HG22 ' CE ' ' A' ' 15' ' ' LYS . 0.6 OUTLIER -127.25 143.47 40.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -74.16 96.44 2.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.602 ' CE ' HG22 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -56.86 104.89 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 109.304 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.463 ' H ' ' CD2' ' A' ' 20' ' ' HIS . . . -94.02 155.48 21.96 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.512 1.133 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -19.31 17.91 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.463 1.77 . . . . 0.0 111.011 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.569 ' HA ' HG23 ' A' ' 47' ' ' THR . 5.4 mt -120.97 -76.05 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.579 ' HB2' ' HB1' ' A' ' 100' ' ' ALA . 0.0 OUTLIER -109.83 135.09 51.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.579 ' CE1' ' HG3' ' A' ' 15' ' ' LYS . 10.5 m170 -79.36 156.23 28.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.592 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.656 HD13 ' CD2' ' A' ' 43' ' ' LEU . 1.7 mm -128.32 130.44 69.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.531 ' O ' HG23 ' A' ' 41' ' ' ILE . 0.3 OUTLIER -145.28 132.45 10.15 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.054 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 22' ' ' SER . 18.4 Cg_endo -74.99 168.33 77.76 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 121.031 -2.487 . . . . 0.0 111.019 0.045 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.425 ' O ' ' O ' ' A' ' 23' ' ' PRO . . . -47.05 -96.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.508 ' O ' ' CG ' ' A' ' 132' ' ' ARG . 39.3 mt-10 -130.66 62.37 1.6 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.152 . . . . 0.0 110.325 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.422 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 0.4 OUTLIER -164.05 103.26 0.88 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 1.076 HD22 HD22 ' A' ' 131' ' ' LEU . 0.1 OUTLIER -91.2 143.79 26.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -132.37 96.26 3.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 110.949 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.535 ' CE2' HG22 ' A' ' 39' ' ' THR . 84.4 m-85 -89.72 96.23 10.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -158.32 48.0 0.44 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.407 ' O ' ' O ' ' A' ' 35' ' ' GLY . 2.9 t -97.9 153.54 18.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.575 0.809 . . . . 0.0 109.962 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 34' ' ' SER . 2.9 mp -136.72 156.4 35.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 68.17 -61.61 0.38 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 110.286 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 32' ' ' ILE . 0.6 OUTLIER -90.1 31.37 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.019 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 31' ' ' SER . . . 129.96 131.72 3.37 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.537 1.148 . . . . 0.0 110.969 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -90.15 96.53 10.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 0.756 . . . . 0.0 110.257 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.9 mttt 68.2 59.11 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.575 ' HD2' HG23 ' A' ' 81' ' ' ILE . 0.2 OUTLIER -127.49 142.64 51.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.535 HG22 ' CE2' ' A' ' 29' ' ' PHE . 6.2 t -111.37 158.33 19.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.401 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.598 HD12 ' N ' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -128.7 118.55 23.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.598 ' N ' HD12 ' A' ' 40' ' ' LEU . 62.7 mt -90.8 151.92 3.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 t -126.09 137.49 57.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.783 ' HB2' HG22 ' A' ' 78' ' ' ILE . 16.2 mt -124.28 110.17 14.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -98.09 110.64 23.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.403 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 72' ' ' CYS . 13.6 t-20 -78.88 106.77 11.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.407 HG22 ' O ' ' A' ' 18' ' ' LEU . 12.8 m -82.81 -39.06 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.412 1.07 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.569 HG23 ' HA ' ' A' ' 18' ' ' LEU . 1.6 p -51.32 152.37 2.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.439 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -92.82 29.58 1.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.629 ' O ' HG23 ' A' ' 51' ' ' VAL . 21.5 m-80 -151.07 136.56 17.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 49' ' ' ASN . 25.8 mt -39.18 145.48 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.81 HG22 ' HA ' ' A' ' 102' ' ' GLU . 76.3 t -137.7 123.57 26.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.467 ' HB3' ' HE2' ' A' ' 117' ' ' PHE . . . -81.6 121.26 26.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.891 ' CE2' HD13 ' A' ' 78' ' ' ILE . 25.7 p90 -110.33 163.09 13.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.971 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.449 ' HB2' ' HE2' ' A' ' 99' ' ' MET . 15.1 mttm -157.86 154.13 27.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.647 HG21 HG21 ' A' ' 80' ' ' ILE . 21.6 t -134.22 124.73 46.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.55 ' HG3' ' HB3' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -130.89 166.29 21.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.439 ' OG1' ' N ' ' A' ' 58' ' ' THR . 1.9 t -151.64 176.01 11.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 110.411 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.439 ' N ' ' OG1' ' A' ' 57' ' ' THR . 7.7 p -88.49 21.78 2.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 110.419 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.79 ' HB1' ' CD ' ' A' ' 62' ' ' LYS . . . -165.01 74.39 1.45 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 7.31 2.91 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.446 1.761 . . . . 0.0 110.971 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -125.4 20.85 7.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.79 ' CD ' ' HB1' ' A' ' 59' ' ' ALA . 3.9 mttm -134.46 -47.54 0.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -106.9 118.58 37.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.92 119.88 25.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.137 . . . . 0.0 110.351 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.751 HG13 HG22 ' A' ' 82' ' ' VAL . 2.2 t -115.53 132.15 65.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.521 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.4 OUTLIER -161.93 134.32 4.28 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.845 ' HD2' HD13 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -75.02 133.15 30.1 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 121.0 -2.5 . . . . 0.0 110.982 0.028 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.432 ' N ' ' HA ' ' A' ' 66' ' ' LYS . 88.8 p -112.98 42.5 1.87 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 110.013 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.447 ' N ' ' OD1' ' A' ' 69' ' ' ASN . 9.0 p-10 167.2 84.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.107 . . . . 0.0 109.348 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.09 -169.35 0.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 110.007 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 93.8 p -132.2 158.55 41.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.968 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.578 ' HB3' HD21 ' A' ' 19' ' ' LEU . 51.8 t -119.34 125.09 48.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 108.297 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.55 162.7 10.71 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.437 1.086 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 139.08 23.77 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.502 1.79 . . . . 0.0 110.969 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.63 35.49 86.18 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -139.05 -178.56 5.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 0.731 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 2.2 p -142.59 134.66 27.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.983 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.891 HD13 ' CE2' ' A' ' 53' ' ' PHE . 1.1 tt -105.05 169.23 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -128.12 119.82 26.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.845 HD13 ' HD2' ' A' ' 67' ' ' PRO . 2.7 mm -116.1 104.58 16.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.575 HG23 ' HD2' ' A' ' 38' ' ' LYS . 2.3 mp -77.96 146.51 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.751 HG22 HG13 ' A' ' 65' ' ' VAL . 96.3 t -136.82 98.22 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.253 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -116.94 124.28 29.37 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 110.017 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.462 ' HG3' ' CG1' ' A' ' 90' ' ' VAL . 18.4 Cg_endo -75.0 175.83 10.72 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.431 1.753 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.763 ' HB2' HD21 ' A' ' 88' ' ' LEU . 1.1 m-70 -63.29 111.02 2.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.625 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -42.85 92.95 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.51 1.131 . . . . 0.0 111.05 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 85' ' ' HIS . . . 146.45 -71.0 0.35 Allowed Glycine 0 CA--C 1.529 0.955 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.763 HD21 ' HB2' ' A' ' 85' ' ' HIS . 4.2 pp -60.94 -170.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 0.747 . . . . 0.0 109.25 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.461 ' OG1' ' N ' ' A' ' 90' ' ' VAL . 1.7 t -127.11 177.58 6.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.4 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.462 ' CG1' ' HG3' ' A' ' 84' ' ' PRO . 3.3 m -100.81 5.42 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.363 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.4 m 40.04 -156.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.949 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -128.41 18.17 6.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -112.12 -24.23 9.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.138 . . . . 0.0 110.274 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -59.45 139.17 57.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.244 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.69 142.43 51.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.458 ' O ' ' N ' ' A' ' 131' ' ' LEU . 39.2 m-85 -116.87 142.99 46.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.829 HD13 ' N ' ' A' ' 98' ' ' ILE . 1.7 tm? -128.46 147.29 50.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.341 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.829 ' N ' HD13 ' A' ' 97' ' ' LEU . 3.3 mt -135.43 131.31 51.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.461 ' HG3' HD11 ' A' ' 97' ' ' LEU . 2.0 mtp -107.79 154.44 21.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.579 ' HB1' ' HB2' ' A' ' 19' ' ' LEU . . . -161.44 117.59 2.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.792 ' HB2' HG23 ' A' ' 126' ' ' VAL . . . -128.78 132.99 47.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.81 ' HA ' HG22 ' A' ' 51' ' ' VAL . 1.2 tt0 -69.9 121.51 17.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.632 ' CG ' ' CZ ' ' A' ' 117' ' ' PHE . 9.6 mtp -85.33 171.47 11.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 111.025 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -81.07 -170.32 2.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -49.59 -84.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.353 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.15 122.01 25.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.979 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.761 ' O ' HG23 ' A' ' 109' ' ' THR . 13.3 m -124.76 104.17 8.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.985 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 109' ' ' THR . . . -52.06 -19.92 5.99 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.761 HG23 ' O ' ' A' ' 107' ' ' SER . 51.6 p 38.04 51.35 1.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 0.758 . . . . 0.0 110.391 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.723 ' O ' HD12 ' A' ' 114' ' ' LEU . . . -120.6 -168.68 13.71 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.5 1.125 . . . . 0.0 110.971 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -28.1 9.43 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.555 1.818 . . . . 0.0 111.026 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -87.5 -67.7 0.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 117' ' ' PHE . 1.5 mm-40 -38.28 -47.3 1.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.723 HD12 ' O ' ' A' ' 110' ' ' GLY . 78.2 mt -60.04 -66.1 0.57 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.73 -33.69 3.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 110.032 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.525 ' HA ' ' CG ' ' A' ' 119' ' ' LYS . 2.0 mt-30 -80.14 -32.12 38.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.258 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.632 ' CZ ' ' CG ' ' A' ' 103' ' ' MET . 75.5 t80 -84.2 -18.6 36.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 111.067 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . 0.898 ' CZ3' HG21 ' A' ' 126' ' ' VAL . 55.1 m95 -92.37 -26.49 18.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 107.99 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.525 ' CG ' ' HA ' ' A' ' 116' ' ' GLN . 0.0 OUTLIER -83.62 -23.51 31.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -92.15 -41.65 10.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 110.296 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.651 HG12 ' HA ' ' A' ' 118' ' ' TRP . 9.9 p -69.26 119.45 70.42 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.6 ' O ' HG12 ' A' ' 126' ' ' VAL . 18.1 Cg_endo -75.02 170.02 21.34 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.472 1.775 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.563 ' HA ' HG12 ' A' ' 126' ' ' VAL . 0.0 OUTLIER -77.63 0.66 22.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -100.46 -13.89 18.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.514 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 30.1 mmtt -104.25 -26.93 12.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.898 HG21 ' CZ3' ' A' ' 118' ' ' TRP . 14.9 p -95.65 140.17 17.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . 0.45 ' O ' ' HA ' ' A' ' 99' ' ' MET . 66.9 ttp -81.47 156.1 25.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.482 ' HB3' HD21 ' A' ' 97' ' ' LEU . 40.6 mt-10 -142.43 113.8 7.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 110.311 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . 0.642 ' HD2' HG21 ' A' ' 21' ' ' ILE . 84.0 t60 -119.98 126.51 51.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 109.639 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.418 ' HD2' HD23 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -98.32 125.25 43.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.287 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 1.076 HD22 HD22 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -99.62 144.37 28.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.157 . . . . 0.0 109.302 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.508 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 7.7 ptp180 -115.24 154.75 28.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.282 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' CYS . . . . . 0.417 ' SG ' HG21 ' A' ' 90' ' ' VAL . 1.9 t -91.87 144.61 25.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 108.29 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -116.96 71.84 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.597 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 5.5 p -104.07 -156.76 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.388 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -157.66 121.06 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.248 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -178.53 156.95 0.95 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.52 1.137 . . . . 0.0 110.262 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 10.6 p -165.79 162.33 18.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.989 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.86 -70.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.975 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt 62.45 128.65 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -172.46 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.477 1.777 . . . . 0.0 110.982 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -82.68 158.45 22.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.5 t -177.93 146.41 0.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.029 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -135.48 79.27 1.77 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -168.45 138.23 2.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.946 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 2.7 mp -84.11 126.26 32.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.34 119.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.969 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 131.39 108.35 1.19 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.517 1.135 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 104.86 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.529 1.805 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.45 164.9 6.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 109.967 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.82 141.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.989 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.545 1.153 . . . . 0.0 111.005 179.99 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -171.15 85.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 0.794 . . . . 0.0 110.006 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m 63.2 145.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 110.007 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.54 159.16 7.81 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.497 1.123 . . . . 0.0 110.955 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -158.65 94.31 1.24 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 0.764 . . . . 0.0 110.013 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 t -94.84 143.67 26.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 109.974 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.89 -66.85 0.38 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.52 141.76 50.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 0.74 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.7 163.55 42.25 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 154.63 42.37 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.549 1.815 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.475 HD22 ' HA ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -75.32 115.36 14.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.2 m -58.6 132.97 55.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.943 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.752 HG22 ' OG ' ' A' ' 22' ' ' SER . 65.2 t -137.16 133.05 47.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.519 ' CG ' ' CE1' ' A' ' 129' ' ' HIS . 53.5 t80 -75.6 94.87 3.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.678 ' HG3' ' CE1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -63.93 84.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.17 154.64 46.56 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.48 1.113 . . . . 0.0 111.014 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.5 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.2 Cg_endo -75.01 -18.5 18.66 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.471 1.774 . . . . 0.0 110.97 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.62 ' HA ' HG23 ' A' ' 47' ' ' THR . 0.4 OUTLIER -125.04 -69.31 0.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.748 HD23 ' CG1' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -109.64 128.81 55.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.248 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.678 ' CE1' ' HG3' ' A' ' 15' ' ' LYS . 6.8 m170 -82.95 120.38 25.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.631 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.964 HG21 ' CD2' ' A' ' 129' ' ' HIS . 1.5 mm -94.16 136.49 25.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.752 ' OG ' HG22 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -145.1 129.21 8.79 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.026 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.524 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 18.2 Cg_endo -75.04 -161.67 2.56 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 120.994 -2.503 . . . . 0.0 110.965 0.049 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.58 -107.28 0.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.452 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 0.3 OUTLIER -100.69 65.13 1.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.327 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.524 ' O ' ' HG2' ' A' ' 23' ' ' PRO . 0.0 OUTLIER -163.98 146.85 9.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.298 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.711 ' HG ' HG21 ' A' ' 39' ' ' THR . 1.0 OUTLIER -147.63 123.0 10.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -121.25 102.59 8.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 111.046 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.432 ' CE2' HG12 ' A' ' 82' ' ' VAL . 9.0 m-85 -86.37 92.99 8.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -128.27 176.44 18.15 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.53 1.144 . . . . 0.0 111.028 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 m -100.42 124.44 45.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 0.799 . . . . 0.0 110.032 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 43.9 mt -63.36 -66.22 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -138.16 -64.11 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.2 t -119.5 17.52 12.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.028 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -93.59 -141.51 11.06 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.548 1.155 . . . . 0.0 110.959 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 38' ' ' LYS . 0.7 OUTLIER -156.6 177.11 11.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 110.329 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -50.53 92.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.291 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.556 ' HD2' HG23 ' A' ' 81' ' ' ILE . 0.2 OUTLIER -150.16 142.31 24.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.711 HG21 ' HG ' ' A' ' 27' ' ' LEU . 14.5 t -110.31 163.82 13.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.112 . . . . 0.0 110.371 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.504 ' CD1' ' C ' ' A' ' 80' ' ' ILE . 0.3 OUTLIER -132.76 117.65 18.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.232 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.902 HD13 HD11 ' A' ' 98' ' ' ILE . 21.5 mt -92.52 130.92 40.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 t -106.07 133.13 51.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.868 ' HB2' HG22 ' A' ' 78' ' ' ILE . 27.8 mt -116.04 101.16 8.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -91.22 108.56 19.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.415 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.441 ' CG ' ' HA ' ' A' ' 74' ' ' PRO . 52.4 t-20 -78.57 106.05 10.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 18' ' ' LEU . 35.6 m -85.78 -39.25 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.62 HG23 ' HA ' ' A' ' 18' ' ' LEU . 1.6 p -51.7 154.96 1.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.406 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.93 29.76 2.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.58 ' O ' HG23 ' A' ' 51' ' ' VAL . 7.5 m-80 -152.07 137.01 17.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.269 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.415 ' C ' ' O ' ' A' ' 49' ' ' ASN . 23.8 mt -38.85 148.35 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.777 HG22 ' HA ' ' A' ' 102' ' ' GLU . 73.6 t -138.77 123.1 20.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.603 ' HB3' ' HE2' ' A' ' 117' ' ' PHE . . . -84.39 131.9 34.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.355 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.614 ' CE2' HD13 ' A' ' 78' ' ' ILE . 44.4 p90 -124.39 144.56 49.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.992 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.57 ' HE3' ' CD1' ' A' ' 118' ' ' TRP . 9.5 mttt -137.49 124.25 21.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 1.03 HG21 HG21 ' A' ' 80' ' ' ILE . 39.9 t -95.13 121.99 46.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -126.73 141.57 51.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.532 1.145 . . . . 0.0 110.304 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.506 HG23 ' H ' ' A' ' 59' ' ' ALA . 5.1 t -135.48 170.89 15.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 110.375 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 24.1 p -88.26 21.22 2.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.415 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.775 ' HB1' ' HB2' ' A' ' 62' ' ' LYS . . . -164.65 75.32 1.53 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.127 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -1.24 10.98 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.53 1.805 . . . . 0.0 110.965 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.467 ' O ' ' CD2' ' A' ' 85' ' ' HIS . 14.1 pt-20 -118.82 12.1 12.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.775 ' HB2' ' HB1' ' A' ' 59' ' ' ALA . 20.1 mttt -124.79 -50.2 1.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.356 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.574 ' CD2' ' HB3' ' A' ' 59' ' ' ALA . 31.1 m-85 -102.64 115.22 30.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 110.969 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.28 106.81 13.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.325 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.918 HG13 HG22 ' A' ' 82' ' ' VAL . 2.1 t -104.51 132.43 51.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.51 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.0 OUTLIER -163.01 134.51 3.79 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.753 ' HD2' HD13 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -74.99 133.68 32.5 Favored 'Cis proline' 0 C--N 1.359 1.12 0 C-N-CA 121.024 -2.49 . . . . 0.0 111.038 -0.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.415 ' HB3' ' O ' ' A' ' 65' ' ' VAL . 88.6 p -110.97 45.43 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.983 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 68' ' ' SER . 0.6 OUTLIER 164.11 88.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.438 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 3.3 t -173.37 -177.34 1.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.006 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 54.4 p -124.51 158.31 33.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.018 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 44.4 t -118.2 116.4 26.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 108.304 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -53.02 161.97 1.13 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.441 ' HA ' ' CG ' ' A' ' 45' ' ' ASN . 18.3 Cg_endo -75.04 138.73 23.3 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.65 32.87 71.03 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -138.46 -179.16 5.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 0.745 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.5 p -143.54 134.47 25.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.999 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.868 HG22 ' HB2' ' A' ' 43' ' ' LEU . 1.1 tt -104.78 169.96 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -128.77 118.38 22.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 1.03 HG21 HG21 ' A' ' 55' ' ' VAL . 3.7 mm -114.55 111.54 36.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.556 HG23 ' HD2' ' A' ' 38' ' ' LYS . 1.9 mp -82.15 147.22 6.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.918 HG22 HG13 ' A' ' 65' ' ' VAL . 64.2 t -140.72 98.52 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 29.5 t -125.04 143.64 44.73 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 110.008 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 171.42 18.35 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.534 1.807 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.467 ' CD2' ' O ' ' A' ' 61' ' ' GLU . 0.1 OUTLIER -49.74 -23.0 1.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.586 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 125.03 -85.35 0.36 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.509 1.13 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -45.1 -68.96 0.83 Allowed Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.458 ' CD1' ' C ' ' A' ' 88' ' ' LEU . 0.1 OUTLIER -54.68 -172.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 0.755 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.453 ' OG1' ' N ' ' A' ' 90' ' ' VAL . 1.4 t -151.78 175.54 12.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.406 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.453 ' N ' ' OG1' ' A' ' 89' ' ' THR . 1.3 m -84.99 135.02 25.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.138 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.42 -168.96 1.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.004 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.473 ' HB2' HG21 ' A' ' 135' ' ' THR . . . -85.66 -9.67 56.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -92.56 -25.77 18.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 110.306 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.571 ' OD1' ' CE2' ' A' ' 63' ' ' TYR . 42.8 t0 -60.12 128.35 36.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.155 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.426 ' HG3' ' N ' ' A' ' 96' ' ' PHE . 7.5 tpp180 -133.16 142.76 48.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.679 ' CZ ' ' CG1' ' A' ' 82' ' ' VAL . 38.4 m-85 -115.47 154.32 29.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.953 HD11 ' HB3' ' A' ' 128' ' ' GLU . 24.7 tp -137.76 146.4 43.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.902 HD11 HD13 ' A' ' 41' ' ' ILE . 3.4 mt -136.71 120.93 24.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.547 ' HB3' ' CH2' ' A' ' 118' ' ' TRP . 9.9 mtm -93.83 156.14 16.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.602 ' HB3' ' HB3' ' A' ' 127' ' ' MET . . . -161.41 121.0 2.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.743 ' HB1' HG21 ' A' ' 121' ' ' VAL . . . -133.41 130.32 38.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.777 ' HA ' HG22 ' A' ' 51' ' ' VAL . 0.7 OUTLIER -70.34 120.4 15.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.557 ' HG2' ' CZ ' ' A' ' 117' ' ' PHE . 12.5 mtp -85.59 171.71 11.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -79.91 -169.83 2.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -52.35 -84.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.266 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.27 121.88 22.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.1 . . . . 0.0 109.973 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.2 m -122.82 130.25 52.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 110.003 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -79.92 -29.75 45.7 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.57 1.169 . . . . 0.0 110.963 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 59.7 p 46.99 70.55 0.39 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.544 0.791 . . . . 0.0 110.389 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.459 ' O ' HD12 ' A' ' 114' ' ' LEU . . . -140.59 -158.78 7.69 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.477 1.111 . . . . 0.0 111.026 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -50.49 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.542 1.812 . . . . 0.0 110.977 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -73.45 -64.09 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.252 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 112' ' ' ALA . 0.5 OUTLIER -34.43 -54.45 0.53 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.327 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.459 HD12 ' O ' ' A' ' 110' ' ' GLY . 73.0 mt -56.57 -64.79 0.75 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.169 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.411 ' O ' ' CG ' ' A' ' 119' ' ' LYS . 0.1 OUTLIER -47.75 -31.6 4.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.003 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.523 ' HA ' ' CG ' ' A' ' 119' ' ' LYS . 1.6 mt-30 -79.33 -31.2 43.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.337 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.607 ' O ' HG12 ' A' ' 121' ' ' VAL . 33.8 t80 -85.38 -21.79 28.69 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . 0.597 ' HA ' HG12 ' A' ' 121' ' ' VAL . 60.9 m95 -89.32 -23.39 22.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 108.047 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.523 ' CG ' ' HA ' ' A' ' 116' ' ' GLN . 0.0 OUTLIER -86.99 -27.99 22.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.274 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.46 ' CG ' ' HD2' ' A' ' 119' ' ' LYS . 2.3 mt-10 -86.09 -39.84 16.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.555 1.16 . . . . 0.0 110.316 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.743 HG21 ' HB1' ' A' ' 101' ' ' ALA . 7.4 p -69.04 127.42 93.08 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.831 ' O ' HG23 ' A' ' 126' ' ' VAL . 18.2 Cg_endo -75.03 172.63 16.0 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.486 1.782 . . . . 0.0 111.017 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.68 -20.71 60.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -76.22 -20.07 57.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.09 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.493 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 18.5 mmtt -103.94 -16.48 15.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.091 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.831 HG23 ' O ' ' A' ' 122' ' ' PRO . 41.5 t -78.44 104.8 6.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . 0.602 ' HB3' ' HB3' ' A' ' 100' ' ' ALA . 22.5 ttp -80.82 99.83 8.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 111.031 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.953 ' HB3' HD11 ' A' ' 97' ' ' LEU . 26.6 mt-10 -97.96 135.75 39.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . 0.964 ' CD2' HG21 ' A' ' 21' ' ' ILE . 71.7 t60 -128.51 114.98 17.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.591 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.448 ' HG3' HD13 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -90.11 121.78 32.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.526 ' HB3' HD22 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -93.71 149.47 21.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.326 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.474 ' O ' ' N ' ' A' ' 27' ' ' LEU . 4.7 ptm180 -129.36 149.07 51.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 110.248 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 12.3 t -88.09 156.37 19.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 108.345 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -100.01 68.38 1.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.63 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.473 HG21 ' HB2' ' A' ' 92' ' ' ALA . 3.0 p -55.37 -175.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.371 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.448 HG22 ' O ' ' A' ' 136' ' ' VAL . 9.2 p 42.28 51.92 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -173.85 77.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.69 155.72 0.07 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 109.978 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 3.8 t 76.45 -58.43 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.988 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 7.0 tptt -48.34 130.55 13.11 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 109.345 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 163.6 34.91 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.459 1.768 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 42.3 m-20 -83.95 113.04 20.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 27.7 t -173.0 -56.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.007 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 23.0 tp -134.71 124.1 24.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -134.03 155.0 50.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.567 ' O ' HD12 ' A' ' 146' ' ' LEU . 1.5 pp -152.21 64.68 0.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 4.0 m -43.0 146.82 0.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.997 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -154.01 -155.48 7.24 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 161.18 39.06 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.504 1.792 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 73.2 m 62.73 113.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 110.032 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 7.3 p 56.21 170.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.988 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.477 1.111 . . . . 0.0 110.975 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.35 83.42 0.77 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 0.753 . . . . 0.0 109.998 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.6 p -98.29 105.71 17.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.998 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.9 -168.62 12.83 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.466 1.104 . . . . 0.0 111.018 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.2 p -174.45 136.75 0.47 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 0.746 . . . . 0.0 110.002 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.49 155.54 21.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 110.017 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.11 74.48 0.48 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.452 1.095 . . . . 0.0 110.97 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.92 149.17 0.47 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 0.794 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.2 mttm -45.5 157.36 0.37 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 166.5 29.05 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.47 1.774 . . . . 0.0 111.004 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.8 mp -100.59 108.83 20.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.2 m -114.03 128.94 56.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.032 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.549 HG22 ' HE3' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -124.71 138.45 54.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.559 ' CD2' ' ND1' ' A' ' 129' ' ' HIS . 3.2 t80 -75.15 96.06 3.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.588 ' HG3' ' CE1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -52.2 97.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.473 ' H ' ' CD2' ' A' ' 20' ' ' HIS . . . -88.2 157.62 28.27 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.414 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.4 Cg_endo -74.98 -17.53 19.52 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.54 1.811 . . . . 0.0 111.068 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.628 ' HA ' HG23 ' A' ' 47' ' ' THR . 0.3 OUTLIER -128.05 -76.6 0.56 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.652 HD23 ' CG1' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -102.55 127.59 49.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.588 ' CE1' ' HG3' ' A' ' 15' ' ' LYS . 10.5 m170 -79.65 126.28 30.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.6 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.887 HG21 ' CD2' ' A' ' 129' ' ' HIS . 1.5 mm -95.51 137.36 23.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.474 ' HA ' ' C ' ' A' ' 23' ' ' PRO . 0.3 OUTLIER -146.89 130.71 8.38 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.03 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.515 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 18.4 Cg_endo -75.0 -164.38 3.58 Favored 'Cis proline' 0 C--N 1.36 1.134 0 C-N-CA 121.006 -2.497 . . . . 0.0 111.03 -0.029 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.08 -106.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -110.01 65.37 0.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.323 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.515 ' O ' ' HG2' ' A' ' 23' ' ' PRO . 10.9 pt-20 -163.04 147.29 11.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.319 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.702 HD22 HG21 ' A' ' 39' ' ' THR . 14.5 mt -149.09 133.78 17.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -131.43 101.98 5.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.148 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.682 ' CE1' HG21 ' A' ' 90' ' ' VAL . 19.5 m-85 -82.44 92.09 6.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 153.12 55.76 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 33' ' ' GLU . 52.7 m -68.42 145.29 54.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 0.765 . . . . 0.0 110.013 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 15.8 mt 65.33 -76.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 31' ' ' SER . 2.7 mm-40 -119.76 -178.49 3.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 110.336 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.1 m -98.3 28.12 4.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.973 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -92.39 -58.45 1.36 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.465 1.103 . . . . 0.0 110.975 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -95.41 84.02 3.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 110.304 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -74.35 75.5 1.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.602 ' HD2' HG23 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -142.88 141.89 31.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.702 HG21 HD22 ' A' ' 27' ' ' LEU . 7.8 t -106.09 162.46 13.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.4 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.506 ' CD1' ' C ' ' A' ' 80' ' ' ILE . 0.7 OUTLIER -131.86 116.92 17.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.883 HD13 HD11 ' A' ' 98' ' ' ILE . 21.9 mt -90.81 139.35 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 t -114.53 133.92 59.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.863 ' HB2' HG22 ' A' ' 78' ' ' ILE . 58.6 mt -118.57 104.53 10.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.417 ' C ' HD13 ' A' ' 19' ' ' LEU . 1.2 m -94.66 104.28 16.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.377 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.586 ' OD1' HD22 ' A' ' 19' ' ' LEU . 19.5 t-20 -75.89 106.91 7.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.622 HG22 ' O ' ' A' ' 18' ' ' LEU . 12.5 m -85.09 -38.39 13.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.628 HG23 ' HA ' ' A' ' 18' ' ' LEU . 1.7 p -49.56 155.11 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.414 1.071 . . . . 0.0 110.432 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.28 28.83 3.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.668 ' O ' HG23 ' A' ' 51' ' ' VAL . 6.6 m-80 -149.93 139.62 21.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 103' ' ' MET . 12.3 mt -39.27 140.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.791 HG22 ' HA ' ' A' ' 102' ' ' GLU . 58.4 t -134.54 117.61 24.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.28 133.58 35.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.731 ' CE2' HD13 ' A' ' 78' ' ' ILE . 31.8 p90 -123.99 161.6 25.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.956 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.517 ' HB2' ' HE2' ' A' ' 99' ' ' MET . 0.3 OUTLIER -154.08 148.35 25.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.333 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.801 HG21 HG21 ' A' ' 80' ' ' ILE . 80.5 t -122.13 114.3 42.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -121.27 144.8 48.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.171 . . . . 0.0 110.277 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.9 t -137.28 168.3 19.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.392 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 18.9 p -79.38 3.15 19.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 110.432 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.765 ' HB1' ' HB2' ' A' ' 62' ' ' LYS . . . -150.84 76.61 8.02 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -28.21 9.46 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.476 1.777 . . . . 0.0 111.044 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -88.99 8.93 27.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.258 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.765 ' HB2' ' HB1' ' A' ' 59' ' ' ALA . 14.6 mttm -119.48 -46.15 2.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.112 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.712 ' CE2' ' HB3' ' A' ' 59' ' ' ALA . 44.1 m-85 -105.04 117.2 33.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 111.001 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.78 106.35 11.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.288 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.71 HG11 ' CG1' ' A' ' 55' ' ' VAL . 6.1 t -104.38 131.23 53.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.474 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.0 OUTLIER -162.98 129.12 2.31 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.657 ' HD2' HD13 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -75.03 141.53 72.03 Favored 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 120.998 -2.501 . . . . 0.0 110.982 0.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 87.5 p -113.58 24.76 11.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 110.018 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 62.1 t-20 179.8 109.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.9 -163.65 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.488 1.118 . . . . 0.0 110.031 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.504 ' HG ' ' C ' ' A' ' 51' ' ' VAL . 3.7 t -136.93 167.99 20.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 0.0 110.03 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.443 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 51.7 t -129.41 122.85 30.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 108.307 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -55.66 161.26 3.32 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 134.71 18.14 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.495 1.787 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.67 38.13 51.16 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -143.66 179.95 6.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 0.746 . . . . 0.0 109.303 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 2.3 p -140.84 135.01 30.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.043 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.863 HG22 ' HB2' ' A' ' 43' ' ' LEU . 1.1 tt -105.21 172.27 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.405 ' O ' ' HD2' ' A' ' 67' ' ' PRO . 5.5 m-20 -131.73 125.28 31.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.801 HG21 HG21 ' A' ' 55' ' ' VAL . 4.0 mm -120.56 107.75 21.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.602 HG23 ' HD2' ' A' ' 38' ' ' LYS . 2.0 mp -79.42 143.93 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.611 HG11 ' CZ ' ' A' ' 96' ' ' PHE . 53.9 t -134.47 97.68 2.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.1 t -119.3 135.87 24.21 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.995 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -176.53 2.93 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.495 1.787 . . . . 0.0 110.974 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.46 ' HB2' HD12 ' A' ' 88' ' ' LEU . 1.0 OUTLIER -49.58 177.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.579 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -40.06 -42.23 2.25 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.525 1.141 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -155.74 41.0 0.59 Allowed Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.495 ' HA ' HD23 ' A' ' 88' ' ' LEU . 0.9 OUTLIER -72.28 -160.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 0.762 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.415 ' OG1' ' N ' ' A' ' 90' ' ' VAL . 0.0 OUTLIER -135.88 168.93 18.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.419 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.682 HG21 ' CE1' ' A' ' 29' ' ' PHE . 2.4 p -139.65 84.44 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.02 -162.6 0.62 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.972 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -98.8 27.15 5.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -108.69 -26.68 10.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.591 ' CG ' ' CE2' ' A' ' 63' ' ' TYR . 1.6 t0 -85.6 128.42 34.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.68 142.04 46.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.293 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.611 ' CZ ' HG11 ' A' ' 82' ' ' VAL . 39.2 m-85 -108.18 154.74 21.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.712 HD13 ' N ' ' A' ' 98' ' ' ILE . 2.9 tm? -138.15 144.99 41.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.883 HD11 HD13 ' A' ' 41' ' ' ILE . 4.7 mt -136.74 131.84 47.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.517 ' HE2' ' HB2' ' A' ' 54' ' ' LYS . 3.3 mtp -110.03 152.2 26.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.941 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.515 ' C ' HG23 ' A' ' 126' ' ' VAL . . . -159.45 117.0 2.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.799 ' HB2' ' HB ' ' A' ' 126' ' ' VAL . . . -127.44 135.97 51.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.791 ' HA ' HG22 ' A' ' 51' ' ' VAL . 1.1 tt0 -69.44 117.27 10.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.281 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.577 ' HG2' ' CE1' ' A' ' 117' ' ' PHE . 0.0 OUTLIER -97.8 172.34 7.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.958 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -64.71 -141.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.252 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.422 ' HG3' ' N ' ' A' ' 106' ' ' SER . 19.3 pt20 -111.58 -44.2 3.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.298 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.422 ' N ' ' HG3' ' A' ' 105' ' ' GLN . 0.5 OUTLIER -90.58 120.68 31.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.011 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.533 ' HB2' ' HE1' ' A' ' 103' ' ' MET . 0.0 OUTLIER -171.97 136.81 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.989 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -86.67 -5.63 81.35 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.512 1.132 . . . . 0.0 111.022 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.537 ' HA ' ' CD2' ' A' ' 114' ' ' LEU . 38.2 p 46.2 30.77 1.04 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 0.737 . . . . 0.0 110.396 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.911 ' O ' HD23 ' A' ' 114' ' ' LEU . . . -82.75 -167.17 40.38 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.514 1.134 . . . . 0.0 111.029 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -20.14 17.14 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.52 1.8 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -93.48 -64.27 1.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 112' ' ' ALA . 3.2 mm-40 -38.41 -49.61 1.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.316 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.911 HD23 ' O ' ' A' ' 110' ' ' GLY . 2.5 mm? -53.52 -70.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 114' ' ' LEU . 0.3 OUTLIER -38.76 -43.88 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.008 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -56.87 -62.39 1.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 110.276 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.877 ' O ' HG12 ' A' ' 121' ' ' VAL . 23.1 t80 -56.58 -37.47 70.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 111.028 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . 0.791 ' CZ3' HG21 ' A' ' 126' ' ' VAL . 87.9 m95 -72.03 -12.31 61.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 108.027 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.21 -23.62 17.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -98.61 -42.96 7.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.877 HG12 ' O ' ' A' ' 117' ' ' PHE . 9.7 p -69.38 124.18 89.93 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.563 ' HG2' ' CG ' ' A' ' 125' ' ' LYS . 18.4 Cg_endo -74.96 166.57 28.94 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.508 1.794 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.515 ' C ' ' CD ' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -79.26 -1.19 35.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.505 ' N ' ' HD2' ' A' ' 123' ' ' ARG . 0.6 OUTLIER -102.77 -3.49 26.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.563 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 34.8 mmtt -109.25 -28.15 9.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.799 ' HB ' ' HB2' ' A' ' 101' ' ' ALA . 4.4 p -90.61 140.26 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . 0.47 ' HG2' ' N ' ' A' ' 128' ' ' GLU . 63.1 ttp -79.73 155.49 27.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.47 ' N ' ' HG2' ' A' ' 127' ' ' MET . 50.2 mt-10 -135.18 121.38 20.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.281 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . 0.887 ' CD2' HG21 ' A' ' 21' ' ' ILE . 73.0 t60 -122.88 124.46 43.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.602 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.559 ' HD2' HD23 ' A' ' 97' ' ' LEU . 1.0 OUTLIER -101.44 121.62 42.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.622 HD22 ' CD2' ' A' ' 129' ' ' HIS . 0.2 OUTLIER -92.53 145.15 24.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.235 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -117.17 150.26 39.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 3.9 m -88.38 132.65 34.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 108.264 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -96.25 83.43 3.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.541 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 76.4 p -115.3 -168.43 1.39 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.334 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.459 HG22 ' N ' ' A' ' 137' ' ' GLU . 9.9 p -110.07 167.87 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.459 ' N ' HG22 ' A' ' 136' ' ' VAL . 4.8 mp0 -94.08 172.32 8.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.265 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -148.63 176.65 10.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.006 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 31.4 m -136.01 173.58 11.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.988 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.7 151.13 73.72 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 134.33 17.73 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.537 1.809 . . . . 0.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 24.8 t30 55.55 168.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.6 143.55 23.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.022 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 2.5 pp -51.15 -41.85 60.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.05 142.27 44.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 35.2 mt -54.12 100.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 66.6 p -177.31 161.59 1.82 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 0.0 110.0 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 96.71 120.99 3.97 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 169.38 22.75 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.503 1.791 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 32.9 p -115.72 162.6 17.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.959 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 15.6 p -168.58 167.99 11.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 109.995 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 179.974 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.8 t -177.12 116.86 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.775 . . . . 0.0 109.969 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.7 p -47.62 -59.15 3.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.983 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.27 154.76 31.25 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.455 1.097 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -77.87 156.71 30.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 0.742 . . . . 0.0 109.974 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 m -46.2 110.11 0.24 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.97 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.71 105.18 0.19 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.519 1.137 . . . . 0.0 110.969 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.74 -161.15 1.0 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 0.77 . . . . 0.0 109.269 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.67 156.23 80.57 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.324 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 100.08 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.518 1.799 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.33 158.83 3.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.1 m -136.79 142.49 42.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.028 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.886 HG22 ' OG ' ' A' ' 22' ' ' SER . 52.9 t -127.48 125.55 65.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.413 ' O ' ' N ' ' A' ' 16' ' ' GLY . 59.7 t80 -73.73 95.25 2.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 110.936 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.612 ' CG ' ' CE1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -65.43 79.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.616 ' N ' ' CD2' ' A' ' 20' ' ' HIS . . . -61.56 161.44 26.92 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.486 1.116 . . . . 0.0 110.965 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -18.2 18.88 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.515 1.797 . . . . 0.0 111.024 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.488 ' O ' HG23 ' A' ' 47' ' ' THR . 3.1 mt -128.37 -69.05 0.74 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.492 HD22 ' HA ' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -107.51 125.36 51.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.132 . . . . 0.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.616 ' CD2' ' N ' ' A' ' 16' ' ' GLY . 13.4 m170 -85.8 123.89 31.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.607 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.51 ' O ' HG13 ' A' ' 13' ' ' VAL . 28.6 mt -95.86 160.5 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.886 ' OG ' HG22 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -157.67 128.81 3.72 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.015 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.431 ' C ' ' HA ' ' A' ' 22' ' ' SER . 18.2 Cg_endo -75.0 -164.04 3.42 Favored 'Cis proline' 0 C--N 1.36 1.176 0 C-N-CA 120.965 -2.515 . . . . 0.0 111.049 -0.049 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.38 -91.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.548 ' HA ' HD23 ' A' ' 131' ' ' LEU . 27.1 mt-10 -132.71 62.85 1.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.345 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.412 ' O ' ' HG2' ' A' ' 23' ' ' PRO . 0.0 OUTLIER -162.07 102.85 1.13 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 110.316 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 1.026 ' HG ' HG21 ' A' ' 39' ' ' THR . 1.6 tp -99.43 119.62 38.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.572 ' CE1' ' HB3' ' A' ' 134' ' ' HIS . 1.7 m-85 -109.04 98.79 8.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.59 ' CZ ' HD23 ' A' ' 27' ' ' LEU . 88.7 m-85 -84.93 91.71 8.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.978 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 177.21 111.8 0.3 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 70.0 m -108.39 158.26 17.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 0.728 . . . . 0.0 109.999 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.4 tt -64.27 -27.01 41.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -69.91 155.99 39.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.103 . . . . 0.0 110.289 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.68 26.6 3.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.023 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -85.37 -87.93 0.93 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -147.16 144.64 29.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 0.794 . . . . 0.0 110.281 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -81.16 87.98 6.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.166 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.423 ' C ' ' CD ' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -123.98 151.14 44.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 1.026 HG21 ' HG ' ' A' ' 27' ' ' LEU . 2.3 t -116.43 159.95 21.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.408 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.752 HD11 ' HB2' ' A' ' 79' ' ' ASP . 2.2 tp -133.07 118.1 18.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.74 HG23 ' O ' ' A' ' 22' ' ' SER . 33.7 mt -89.7 144.01 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 t -113.66 139.99 36.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.861 ' HB2' HG22 ' A' ' 78' ' ' ILE . 41.3 mt -124.91 105.11 8.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.367 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.0 m -90.39 98.81 11.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.442 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.492 ' HA ' HD22 ' A' ' 19' ' ' LEU . 25.3 t-20 -45.66 101.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.909 ' O ' HG12 ' A' ' 46' ' ' VAL . 1.6 t -103.49 67.23 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.088 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.518 ' CG2' ' O ' ' A' ' 46' ' ' VAL . 25.4 p -157.77 174.75 14.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.385 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.402 ' O ' ' CG ' ' A' ' 49' ' ' ASN . 0.0 OUTLIER -104.97 20.7 18.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.243 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.472 ' O ' HG23 ' A' ' 51' ' ' VAL . 9.8 m-80 -163.45 155.42 17.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.429 1.081 . . . . 0.0 109.341 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.405 HG22 ' SD ' ' A' ' 103' ' ' MET . 17.9 mt -43.09 147.42 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.496 ' CG2' ' OG1' ' A' ' 47' ' ' THR . 71.2 t -134.27 120.6 34.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.42 ' HA ' ' CB ' ' A' ' 71' ' ' SER . . . -88.29 123.05 32.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.531 ' CE1' HD13 ' A' ' 78' ' ' ILE . 47.1 p90 -117.01 164.4 14.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 111.027 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.643 ' HB2' ' HE2' ' A' ' 99' ' ' MET . 22.7 mttt -151.98 147.04 26.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 1.13 HG21 HG21 ' A' ' 80' ' ' ILE . 88.4 t -114.4 122.11 67.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.471 ' HB2' HD12 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -123.03 173.8 7.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -172.36 161.5 5.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.398 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 25.5 p -77.92 1.63 19.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.389 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.837 ' HB1' ' HD3' ' A' ' 62' ' ' LYS . . . -154.47 74.75 5.9 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.25 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -4.0 14.75 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.491 1.785 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -105.4 19.62 20.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 110.266 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.837 ' HD3' ' HB1' ' A' ' 59' ' ' ALA . 1.8 mtpm? -131.92 -45.11 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.596 ' CE2' ' OD2' ' A' ' 94' ' ' ASP . 68.9 m-85 -101.41 125.2 48.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -87.78 96.47 10.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.108 . . . . 0.0 110.317 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.486 ' O ' ' CG2' ' A' ' 65' ' ' VAL . 0.7 OUTLIER -96.78 116.64 39.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.415 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.0 OUTLIER -148.27 125.41 5.59 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.752 ' O ' HG23 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -75.0 159.22 98.34 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 121.027 -2.489 . . . . 0.0 110.994 0.035 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.462 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 73.8 p -113.96 -30.75 6.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.002 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 -133.42 100.69 4.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -162.94 -178.23 5.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.972 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.42 ' CB ' ' HA ' ' A' ' 52' ' ' ALA . 66.6 p -137.09 152.94 50.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.989 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.444 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 41.0 t -118.77 143.16 47.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 108.32 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.466 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 0.7 OUTLIER -77.08 168.95 23.8 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.467 ' HA ' ' OD1' ' A' ' 45' ' ' ASN . 18.2 Cg_endo -74.97 124.75 8.87 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.56 1.821 . . . . 0.0 110.983 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 85.1 38.16 9.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.463 1.102 . . . . 0.0 110.988 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -143.57 169.55 17.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 0.777 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.415 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 2.1 p -135.03 134.65 40.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.988 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.861 HG22 ' HB2' ' A' ' 43' ' ' LEU . 0.7 OUTLIER -105.62 171.39 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.752 ' HB2' HD11 ' A' ' 40' ' ' LEU . 3.3 p-10 -132.13 121.96 24.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 1.13 HG21 HG21 ' A' ' 55' ' ' VAL . 4.7 mm -115.3 96.66 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.41 ' N ' HD13 ' A' ' 40' ' ' LEU . 3.6 mp -73.84 122.44 26.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.486 ' HB ' HG22 ' A' ' 39' ' ' THR . 60.8 t -113.21 99.8 9.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.416 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 3.1 p -117.63 133.38 23.3 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.999 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 83' ' ' SER . 18.3 Cg_endo -74.97 176.35 10.02 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.481 1.78 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -55.67 166.31 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.616 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -97.0 40.7 2.49 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -160.46 -43.16 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.3 pp -90.57 -171.91 3.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 0.752 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.404 ' OG1' ' N ' ' A' ' 90' ' ' VAL . 0.7 OUTLIER -134.99 170.64 15.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.393 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.42 HG11 ' CG ' ' A' ' 29' ' ' PHE . 2.3 p -91.17 132.32 35.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.3 t -128.65 175.47 8.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.005 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -90.73 39.18 0.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -112.68 -26.9 8.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.596 ' OD2' ' CE2' ' A' ' 63' ' ' TYR . 0.5 OUTLIER -97.32 172.49 7.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.355 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.43 ' HG3' ' N ' ' A' ' 96' ' ' PHE . 4.7 tpp180 -149.77 143.45 25.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.476 ' CZ ' ' CG1' ' A' ' 82' ' ' VAL . 28.8 m-85 -105.5 154.48 20.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.964 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.719 HD13 ' N ' ' A' ' 98' ' ' ILE . 2.0 tm? -137.68 139.97 40.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.719 ' N ' HD13 ' A' ' 97' ' ' LEU . 2.7 mt -127.97 132.52 68.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.643 ' HE2' ' HB2' ' A' ' 54' ' ' LYS . 13.2 mtp -110.5 155.74 21.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.452 ' HB1' ' HB2' ' A' ' 19' ' ' LEU . . . -162.62 117.34 1.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.84 ' HB2' HG23 ' A' ' 126' ' ' VAL . . . -129.73 133.64 47.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.34 129.0 38.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.532 ' CG ' ' CZ ' ' A' ' 117' ' ' PHE . 10.0 mtp -97.04 171.77 8.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -74.97 -170.87 1.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -49.06 -95.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.285 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.02 107.34 19.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.008 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 16.5 m -127.97 125.87 40.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.408 1.067 . . . . 0.0 110.031 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -60.88 130.0 47.29 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.504 1.127 . . . . 0.0 111.024 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 61.6 p -98.47 55.84 1.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 0.75 . . . . 0.0 110.43 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -110.25 -175.49 20.74 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.536 1.148 . . . . 0.0 111.01 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -15.79 20.51 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.515 1.797 . . . . 0.0 110.981 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -92.11 -70.49 0.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 112' ' ' ALA . 2.7 mm-40 -37.0 -46.89 0.68 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 95.9 mt -61.82 -66.01 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.9 t -38.1 -39.0 0.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.045 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -74.65 -53.17 9.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.302 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.811 ' O ' HG12 ' A' ' 121' ' ' VAL . 91.9 t80 -58.67 -27.35 64.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . 0.906 ' CZ3' HG21 ' A' ' 126' ' ' VAL . 58.2 m95 -82.85 -14.4 54.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 107.992 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.422 ' C ' ' HD3' ' A' ' 119' ' ' LYS . 0.0 OUTLIER -94.69 -20.35 19.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -96.51 -43.78 7.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.811 HG12 ' O ' ' A' ' 117' ' ' PHE . 9.2 p -70.14 120.18 76.5 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.128 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.662 ' O ' HG12 ' A' ' 126' ' ' VAL . 18.2 Cg_endo -75.05 178.9 6.66 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.487 1.783 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.562 ' HA ' HG12 ' A' ' 126' ' ' VAL . 0.0 OUTLIER -84.98 0.92 49.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 110.327 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -101.2 -14.96 17.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.511 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 25.4 mmtt -102.62 -27.69 12.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.906 HG21 ' CZ3' ' A' ' 118' ' ' TRP . 14.2 p -94.21 137.53 22.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 109.342 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . 0.462 ' SD ' ' N ' ' A' ' 128' ' ' GLU . 18.5 tmm? -80.69 151.57 28.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.462 ' N ' ' SD ' ' A' ' 127' ' ' MET . 58.4 mt-10 -138.13 128.37 25.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . 0.503 ' CE1' ' HG3' ' A' ' 25' ' ' GLU . 73.3 t60 -136.21 125.75 25.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.61 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.429 ' HA ' ' O ' ' A' ' 96' ' ' PHE . 0.9 OUTLIER -97.41 123.39 41.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.277 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.716 HD22 HD13 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -95.35 150.3 20.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.497 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -124.9 146.67 49.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.333 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 20.0 p -86.49 143.33 27.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 108.322 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.572 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -109.03 62.79 0.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.569 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.422 HG23 ' H ' ' A' ' 135' ' ' THR . 62.6 p -38.63 152.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.366 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 28.5 m -57.26 176.36 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.11 170.07 8.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 9.7 t -45.0 -62.18 1.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.006 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.76 123.6 7.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.968 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -109.73 154.33 42.54 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 172.21 16.8 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.519 1.799 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -159.6 115.96 2.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 30.6 t -156.93 107.23 2.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.992 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.65 172.6 6.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 2.3 ttp -157.09 152.76 26.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.978 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.444 HD23 ' H ' ' A' ' 147' ' ' SER . 0.5 OUTLIER -90.83 142.56 27.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . 0.444 ' H ' HD23 ' A' ' 146' ' ' LEU . 14.3 p -139.3 149.22 43.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.424 1.077 . . . . 0.0 109.972 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -75.79 -172.92 33.64 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.463 1.102 . . . . 0.0 111.023 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 166.81 28.35 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.454 1.765 . . . . 0.0 110.974 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.96 144.49 50.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.005 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.58 96.82 4.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.035 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 0.0 111.03 -179.983 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.0 p -159.88 116.3 2.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 0.744 . . . . 0.0 109.984 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 t -47.07 -61.96 1.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.992 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.23 86.83 0.06 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.6 m -155.73 118.46 4.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 0.753 . . . . 0.0 109.959 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.4 m -111.01 81.91 1.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.996 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.22 168.87 0.26 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.528 1.142 . . . . 0.0 111.062 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -143.95 42.78 1.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 0.736 . . . . 0.0 109.332 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.87 162.02 58.26 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 168.47 24.76 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.489 1.783 . . . . 0.0 111.011 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.33 174.94 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.9 p -114.12 152.59 30.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.982 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.762 HG22 ' OG ' ' A' ' 22' ' ' SER . 67.2 t -140.04 123.24 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.679 ' CD2' ' ND1' ' A' ' 129' ' ' HIS . 18.5 t80 -73.51 95.13 2.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.545 ' HD3' ' CE1' ' A' ' 20' ' ' HIS . 18.0 mmtp -60.35 99.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.476 ' H ' ' CD2' ' A' ' 20' ' ' HIS . . . -85.76 157.63 31.32 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.536 1.147 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.41 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.4 Cg_endo -74.94 -17.2 19.9 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.503 1.791 . . . . 0.0 111.02 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.612 ' O ' HG22 ' A' ' 46' ' ' VAL . 1.2 mt -123.95 -75.91 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.922 ' CB ' HG11 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -108.99 126.47 53.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.232 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.82 ' N ' HD22 ' A' ' 19' ' ' LEU . 17.3 m170 -78.6 119.0 21.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.603 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.691 HD13 ' CG2' ' A' ' 98' ' ' ILE . 40.5 mt -96.02 150.76 4.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.808 ' O ' HG23 ' A' ' 41' ' ' ILE . 2.5 m -147.97 141.71 15.84 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.982 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 22' ' ' SER . 18.4 Cg_endo -74.97 -161.96 2.64 Favored 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 121.042 -2.483 . . . . 0.0 111.002 0.033 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.448 ' O ' ' NE2' ' A' ' 129' ' ' HIS . . . -81.06 -89.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -129.21 55.63 1.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.291 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.429 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 8.6 pt-20 -163.44 104.38 0.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.268 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.681 ' HG ' HD12 ' A' ' 131' ' ' LEU . 7.8 mt -103.21 128.48 50.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -125.31 112.72 16.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 110.982 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -90.49 89.24 7.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 111.033 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 172.78 125.91 0.87 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.0 t -117.82 163.58 16.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 0.743 . . . . 0.0 109.991 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.1 mp -99.16 146.24 8.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 69.75 -63.47 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.76 -27.34 64.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.009 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.46 -148.81 51.02 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.467 1.104 . . . . 0.0 110.966 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 70.71 130.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 0.794 . . . . 0.0 110.286 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.7 mttp -92.14 70.02 5.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.443 ' CD ' HG23 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -130.57 145.71 51.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.634 ' OG1' HD22 ' A' ' 27' ' ' LEU . 10.2 t -104.91 158.17 16.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.357 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.505 ' CD1' ' C ' ' A' ' 80' ' ' ILE . 0.5 OUTLIER -132.48 118.31 19.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.348 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.985 HD13 HD11 ' A' ' 98' ' ' ILE . 16.6 mt -90.7 137.38 21.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.1 t -114.48 127.6 71.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.866 ' HB2' HG22 ' A' ' 78' ' ' ILE . 32.5 mt -110.97 104.51 13.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.427 ' N ' ' O ' ' A' ' 20' ' ' HIS . 1.0 OUTLIER -93.42 105.73 17.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 110.402 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.423 ' CG ' ' HA ' ' A' ' 74' ' ' PRO . 54.3 t-20 -76.33 105.23 7.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.612 HG22 ' O ' ' A' ' 18' ' ' LEU . 14.1 m -86.78 -39.77 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.607 HG23 ' HA ' ' A' ' 18' ' ' LEU . 1.5 p -50.51 162.82 0.21 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.402 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -89.69 24.64 2.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.42 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 36.2 m-80 -150.14 168.21 24.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.45 ' CG2' ' HB2' ' A' ' 71' ' ' SER . 52.3 mt -65.76 159.47 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.922 HG11 ' CB ' ' A' ' 19' ' ' LEU . 95.6 t -135.57 105.34 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.545 ' HB3' ' CE2' ' A' ' 117' ' ' PHE . . . -67.08 102.86 1.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.882 ' CE2' HD13 ' A' ' 78' ' ' ILE . 37.8 p90 -96.62 159.84 14.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.57 ' HE3' ' CD1' ' A' ' 118' ' ' TRP . 13.2 mttt -158.7 131.94 7.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.955 HG21 HG21 ' A' ' 80' ' ' ILE . 36.9 t -100.67 121.62 51.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.602 ' HB3' HD12 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -126.34 144.01 50.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.75 158.24 44.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.385 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 45.4 p -73.95 -8.04 54.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 110.352 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.553 ' HB1' ' HD3' ' A' ' 62' ' ' LYS . . . -152.34 74.14 7.46 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 0.31 9.04 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.544 1.813 . . . . 0.0 111.041 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -94.2 48.75 1.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.316 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.575 ' HA ' ' CD2' ' A' ' 85' ' ' HIS . 0.1 OUTLIER -173.51 -38.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 0.0 109.315 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.527 ' CZ ' ' HE3' ' A' ' 62' ' ' LYS . 52.2 m-85 -100.79 115.0 29.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -84.29 94.25 8.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 110.305 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.917 HG13 HG22 ' A' ' 82' ' ' VAL . 2.1 t -91.35 132.09 36.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.511 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.3 OUTLIER -163.44 132.99 3.09 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.778 ' HD2' HD13 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -75.03 142.89 76.07 Favored 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 120.991 -2.504 . . . . 0.0 111.018 0.064 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.6 p -112.73 28.26 8.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.975 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.404 ' O ' ' HB2' ' A' ' 70' ' ' SER . 6.5 p30 -179.82 106.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.604 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 31.2 t 175.44 -170.24 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.009 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.611 ' CB ' HG22 ' A' ' 109' ' ' THR . 0.5 OUTLIER -138.76 135.44 34.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.986 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 49.2 t -91.05 128.69 36.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 108.309 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -69.46 160.41 79.43 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.423 ' HA ' ' CG ' ' A' ' 45' ' ' ASN . 18.2 Cg_endo -74.98 143.27 28.93 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.475 1.776 . . . . 0.0 110.956 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.99 25.36 75.69 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -142.23 178.99 7.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 109.264 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.422 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 3.4 p -140.63 140.42 35.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.978 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.882 HD13 ' CE2' ' A' ' 53' ' ' PHE . 1.0 OUTLIER -104.57 172.06 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -132.06 123.96 28.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.955 HG21 HG21 ' A' ' 55' ' ' VAL . 2.0 mm -121.38 109.83 26.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.466 HD12 ' CD1' ' A' ' 40' ' ' LEU . 2.0 mp -83.55 146.82 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.917 HG22 HG13 ' A' ' 65' ' ' VAL . 36.2 t -139.91 97.73 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.43 128.11 26.23 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.992 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.522 ' HG3' HG12 ' A' ' 90' ' ' VAL . 18.4 Cg_endo -74.96 168.32 25.11 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.527 1.804 . . . . 0.0 111.036 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.788 ' HB2' HD21 ' A' ' 88' ' ' LEU . 0.9 OUTLIER -55.96 145.84 24.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.615 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -65.19 102.19 0.63 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 133.05 -74.97 0.43 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.788 HD21 ' HB2' ' A' ' 85' ' ' HIS . 2.4 pp -48.52 174.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 0.785 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 37.8 p -106.79 -169.12 1.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 110.381 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.522 HG12 ' HG3' ' A' ' 84' ' ' PRO . 1.2 m -97.13 6.19 8.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.4 m 44.91 -164.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.019 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -128.04 -45.02 1.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -66.55 -14.3 62.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.425 ' OD1' ' CE2' ' A' ' 63' ' ' TYR . 0.9 OUTLIER -64.48 102.13 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.4 tpp85 -99.29 143.19 29.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.579 ' CZ ' HG11 ' A' ' 82' ' ' VAL . 22.1 m-85 -111.04 152.66 26.62 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.906 HD22 ' O ' ' A' ' 129' ' ' HIS . 2.1 tm? -135.4 144.05 46.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.985 HD11 HD13 ' A' ' 41' ' ' ILE . 5.6 mt -136.89 123.5 29.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.127 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.61 ' HE2' ' CZ3' ' A' ' 118' ' ' TRP . 3.4 mtp -97.06 157.67 15.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.624 ' HB3' ' CE ' ' A' ' 127' ' ' MET . . . -162.32 118.14 1.94 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.676 ' HB1' HG21 ' A' ' 121' ' ' VAL . . . -129.65 135.99 49.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.93 115.46 8.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.588 ' HG2' ' CZ ' ' A' ' 117' ' ' PHE . 0.0 OUTLIER -91.07 172.39 8.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.994 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.36 -145.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.333 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -107.2 -36.77 6.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.47 108.67 21.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.016 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.402 ' HA ' ' OE1' ' A' ' 113' ' ' GLU . 55.5 m -152.17 152.7 32.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.984 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -108.74 -3.98 32.07 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.131 . . . . 0.0 110.967 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.79 ' HA ' HD21 ' A' ' 114' ' ' LEU . 64.5 p 45.7 34.63 1.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 0.756 . . . . 0.0 110.366 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.983 ' O ' HD23 ' A' ' 114' ' ' LEU . . . -84.47 -169.14 45.25 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -25.33 12.04 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.52 1.8 . . . . 0.0 111.011 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.482 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -92.21 -63.05 1.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.482 ' C ' ' O ' ' A' ' 112' ' ' ALA . 3.3 mm-40 -32.33 -40.87 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.308 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.983 HD23 ' O ' ' A' ' 110' ' ' GLY . 3.6 mm? -71.38 -69.76 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.343 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 114' ' ' LEU . 0.2 OUTLIER -35.73 -33.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.018 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 114' ' ' LEU . 5.3 mm-40 -74.85 -58.55 3.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.891 ' O ' HG12 ' A' ' 121' ' ' VAL . 53.1 t80 -55.44 -32.4 62.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 111.029 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . 0.948 ' CZ3' HG21 ' A' ' 126' ' ' VAL . 79.2 m95 -74.79 -16.31 60.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 107.993 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.65 -22.41 21.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.464 ' CG ' ' N ' ' A' ' 121' ' ' VAL . 0.5 OUTLIER -98.34 -45.07 6.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 110.297 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.891 HG12 ' O ' ' A' ' 117' ' ' PHE . 9.6 p -72.26 120.53 80.91 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.43 1.081 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.653 ' O ' HG12 ' A' ' 126' ' ' VAL . 18.2 Cg_endo -75.05 168.54 24.58 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.431 1.753 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.532 ' C ' ' CD ' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -78.36 1.71 21.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 110.296 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.483 ' N ' ' HD2' ' A' ' 123' ' ' ARG . 1.1 t-20 -102.48 -10.15 19.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.528 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 32.8 mmtt -106.65 -26.78 11.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.948 HG21 ' CZ3' ' A' ' 118' ' ' TRP . 7.4 p -92.22 136.69 23.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . 0.624 ' CE ' ' HB3' ' A' ' 100' ' ' ALA . 35.8 ttp -79.98 143.16 34.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 111.043 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -123.6 116.72 23.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . 0.906 ' O ' HD22 ' A' ' 97' ' ' LEU . 79.2 t60 -115.32 140.11 49.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 109.596 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.682 ' HD2' HD23 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -116.84 122.28 43.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 110.265 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.681 HD12 ' HG ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -93.37 146.52 23.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 5.7 ptp180 -128.45 137.96 52.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 20.1 p -73.65 155.03 39.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 108.274 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -108.23 77.65 1.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.568 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.899 HG23 HG23 ' A' ' 136' ' ' VAL . 13.0 t -144.12 -167.48 2.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.366 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.899 HG23 HG23 ' A' ' 135' ' ' THR . 94.6 t 65.01 126.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -176.82 117.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.54 174.91 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.979 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.32 82.83 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.994 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.668 ' HE2' HD22 ' A' ' 146' ' ' LEU . 0.0 OUTLIER -104.29 165.37 13.48 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . 0.46 ' HD2' ' CG ' ' A' ' 140' ' ' LYS . 18.1 Cg_endo -74.99 -60.41 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.516 1.798 . . . . 0.0 111.027 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -177.58 121.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.559 ' O ' HD12 ' A' ' 144' ' ' LEU . 0.3 OUTLIER 40.55 88.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.97 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.559 HD12 ' O ' ' A' ' 143' ' ' SER . 0.4 OUTLIER -151.52 135.3 16.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.355 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.04 171.11 15.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 111.035 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.668 HD22 ' HE2' ' A' ' 140' ' ' LYS . 3.9 tp 179.16 146.59 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.67 -57.84 9.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.032 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 84.14 157.53 26.05 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 139.55 24.36 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.483 1.78 . . . . 0.0 110.957 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -122.6 100.06 6.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 110.038 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.1 128.71 37.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.981 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.466 1.104 . . . . 0.0 111.001 -179.993 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.4 92.92 5.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 0.786 . . . . 0.0 110.017 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -73.91 169.26 17.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.983 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.17 62.58 0.67 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.513 1.133 . . . . 0.0 111.025 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.7 131.79 7.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 0.755 . . . . 0.0 110.059 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.7 p -45.95 152.24 0.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.026 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.61 -151.22 51.45 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.512 1.132 . . . . 0.0 110.975 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -102.14 100.35 10.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 0.771 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.49 164.26 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 153.46 42.02 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.456 1.767 . . . . 0.0 110.96 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.22 92.69 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.338 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 m -91.62 129.88 37.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.04 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.609 HG22 ' HE3' ' A' ' 15' ' ' LYS . 0.8 OUTLIER -122.87 141.36 43.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -80.26 95.79 6.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.609 ' HE3' HG22 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -53.04 98.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.463 ' H ' ' CD2' ' A' ' 20' ' ' HIS . . . -87.65 157.36 28.68 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.545 1.153 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.416 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.6 Cg_endo -74.95 -18.89 18.48 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.496 1.787 . . . . 0.0 111.031 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.538 ' HA ' HG23 ' A' ' 47' ' ' THR . 3.9 mt -123.52 -76.41 0.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.691 ' HB2' HG11 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -108.65 132.7 53.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.363 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.607 ' CE1' ' HG3' ' A' ' 15' ' ' LYS . 18.1 m170 -78.42 157.65 28.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.64 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.979 HG21 ' CD2' ' A' ' 129' ' ' HIS . 3.6 mm -125.79 146.12 32.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.42 ' HA ' ' C ' ' A' ' 23' ' ' PRO . 1.5 t -158.08 127.37 3.15 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.938 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.42 ' C ' ' HA ' ' A' ' 22' ' ' SER . 18.2 Cg_endo -75.04 -172.8 11.28 Favored 'Cis proline' 0 C--N 1.361 1.194 0 C-N-CA 121.008 -2.497 . . . . 0.0 110.981 0.001 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.41 -96.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.522 ' O ' ' CG ' ' A' ' 132' ' ' ARG . 0.7 OUTLIER -122.38 54.19 1.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.291 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.444 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 0.9 OUTLIER -163.82 103.28 0.9 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.322 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.705 HD22 ' OG1' ' A' ' 39' ' ' THR . 10.7 mt -97.63 137.45 36.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 0.0 109.256 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -130.0 91.95 3.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.645 ' CG ' HG11 ' A' ' 90' ' ' VAL . 25.1 m-85 -70.82 91.16 0.82 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.122 . . . . 0.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 178.78 124.8 0.89 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.513 1.133 . . . . 0.0 110.967 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.97 163.59 12.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 0.774 . . . . 0.0 110.011 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mt -45.38 -63.02 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -53.65 165.83 0.38 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.329 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.2 m -95.43 30.67 2.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 110.006 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -97.59 -143.24 14.51 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.509 1.13 . . . . 0.0 110.979 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -47.26 162.43 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 0.779 . . . . 0.0 110.301 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -134.73 68.24 1.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.45 ' HD2' ' CG2' ' A' ' 81' ' ' ILE . 30.6 pttt -108.1 148.16 30.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.705 ' OG1' HD22 ' A' ' 27' ' ' LEU . 8.9 t -96.55 145.24 25.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.411 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.577 HD12 ' N ' ' A' ' 41' ' ' ILE . 0.7 OUTLIER -118.98 120.2 36.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.242 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.889 HD13 HD11 ' A' ' 98' ' ' ILE . 15.3 mt -91.16 127.51 43.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.45 HG13 ' OD1' ' A' ' 79' ' ' ASP . 2.0 t -106.54 141.8 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.73 HD12 ' CG2' ' A' ' 78' ' ' ILE . 2.4 mt -133.66 110.88 10.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.9 m -97.81 106.79 19.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.452 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.428 ' OD1' ' OG1' ' A' ' 47' ' ' THR . 52.5 t30 -72.73 100.66 2.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.567 HG11 ' NE2' ' A' ' 20' ' ' HIS . 12.4 m -75.28 -38.89 41.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.564 1.165 . . . . 0.0 109.344 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.538 HG23 ' HA ' ' A' ' 18' ' ' LEU . 2.6 p -53.89 153.18 4.93 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.49 1.119 . . . . 0.0 110.406 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.85 22.84 3.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.445 ' HB2' ' CD ' ' A' ' 102' ' ' GLU . 76.3 m-20 -137.18 159.55 41.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 27.4 mt -59.96 145.43 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.691 HG11 ' HB2' ' A' ' 19' ' ' LEU . 75.9 t -136.79 118.6 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.446 ' HB3' ' HE2' ' A' ' 117' ' ' PHE . . . -88.47 120.6 30.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.805 ' HE2' HD13 ' A' ' 78' ' ' ILE . 20.9 p90 -115.3 156.85 24.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.15 . . . . 0.0 111.036 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.581 ' HG3' ' CZ2' ' A' ' 118' ' ' TRP . 8.2 mttm -144.57 119.53 9.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.256 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.463 HG12 HG11 ' A' ' 65' ' ' VAL . 21.5 t -97.8 119.63 46.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.408 ' HD3' HD12 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -127.38 172.08 10.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.577 HG23 ' H ' ' A' ' 59' ' ' ALA . 6.5 t -153.71 170.73 20.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 110.42 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.0 p -87.25 18.73 3.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.402 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.839 ' HB1' ' HD3' ' A' ' 62' ' ' LYS . . . -170.88 72.98 0.55 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -12.94 21.47 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.478 1.778 . . . . 0.0 111.007 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -91.72 18.81 7.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.282 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.839 ' HD3' ' HB1' ' A' ' 59' ' ' ALA . 1.0 OUTLIER -137.12 -47.75 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.103 . . . . 0.0 109.341 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -102.35 119.67 39.21 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.84 103.17 8.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 110.255 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.593 HG13 HG22 ' A' ' 82' ' ' VAL . 2.9 t -100.2 124.44 53.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.52 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -163.67 133.9 3.28 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 109.308 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.52 ' C ' ' HA ' ' A' ' 66' ' ' LYS . 18.3 Cg_endo -74.99 133.76 32.89 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 120.967 -2.514 . . . . 0.0 111.016 -0.002 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.423 ' N ' ' HA ' ' A' ' 66' ' ' LYS . 82.9 p -112.57 43.85 1.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.962 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.4 p30 164.89 69.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.409 ' O ' ' O ' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -151.48 -165.0 2.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.988 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.632 ' OG ' HD21 ' A' ' 114' ' ' LEU . 5.5 m -138.82 172.34 13.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.031 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.545 ' HB3' HD21 ' A' ' 19' ' ' LEU . 35.0 t -133.17 116.21 15.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 108.277 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -55.47 162.7 2.19 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 109.285 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 136.52 20.52 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.494 1.786 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.43 16.56 73.43 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -131.15 -178.95 5.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 109.335 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 2.7 p -145.28 136.89 25.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 110.032 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.805 HD13 ' HE2' ' A' ' 53' ' ' PHE . 1.5 tt -106.19 159.87 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.768 ' C ' HD12 ' A' ' 80' ' ' ILE . 32.7 m-20 -131.73 118.2 19.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.263 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.768 HD12 ' C ' ' A' ' 79' ' ' ASP . 1.2 mp -105.4 118.9 53.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.257 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.45 ' CG2' ' HD2' ' A' ' 38' ' ' LYS . 2.0 mp -82.37 145.97 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.621 HG11 ' CZ ' ' A' ' 96' ' ' PHE . 47.0 t -140.53 98.27 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.16 134.91 24.1 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.004 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 167.01 27.97 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.51 1.795 . . . . 0.0 111.008 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.56 ' CD2' ' HA ' ' A' ' 62' ' ' LYS . 1.2 m-70 -52.29 166.38 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.657 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -86.67 67.73 3.39 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.491 1.119 . . . . 0.0 110.925 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 176.26 -58.74 0.11 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.401 HD21 ' HB2' ' A' ' 85' ' ' HIS . 2.9 pp -73.81 -169.23 0.69 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 0.76 . . . . 0.0 109.354 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.42 ' OG1' ' N ' ' A' ' 90' ' ' VAL . 0.0 OUTLIER -144.14 169.42 17.89 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 110.397 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.645 HG11 ' CG ' ' A' ' 29' ' ' PHE . 7.5 p -87.17 128.71 39.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.1 m -127.71 -176.91 3.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.041 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -95.21 37.18 1.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -110.67 -33.06 6.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.335 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.03 154.21 18.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 109.291 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.449 ' HG3' ' N ' ' A' ' 96' ' ' PHE . 0.0 OUTLIER -127.37 142.21 51.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.315 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.621 ' CZ ' HG11 ' A' ' 82' ' ' VAL . 55.5 m-85 -105.48 153.98 20.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.805 HD23 ' HD2' ' A' ' 130' ' ' ARG . 2.4 tm? -134.39 145.56 49.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.889 HD11 HD13 ' A' ' 41' ' ' ILE . 3.6 mt -136.83 126.88 39.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.305 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.648 ' HE3' ' CH2' ' A' ' 118' ' ' TRP . 16.4 mtm -107.3 155.24 20.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.041 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -162.63 119.08 1.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.742 ' HB2' HG23 ' A' ' 126' ' ' VAL . . . -133.75 136.15 44.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.509 ' OE1' ' N ' ' A' ' 103' ' ' MET . 0.7 OUTLIER -70.83 124.22 23.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.289 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.569 ' HG2' ' CZ ' ' A' ' 117' ' ' PHE . 0.0 OUTLIER -94.71 171.96 8.47 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.134 . . . . 0.0 111.001 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -61.85 -157.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -74.85 -99.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 110.303 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.2 m -87.53 106.54 18.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.987 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.6 m -143.51 132.63 23.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.966 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -65.38 144.97 48.28 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 30.7 p -94.7 28.3 2.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 0.778 . . . . 0.0 110.415 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -71.87 -179.83 33.31 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.453 1.096 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -12.89 21.62 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.492 1.785 . . . . 0.0 111.04 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -91.72 -70.86 0.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.259 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 112' ' ' ALA . 2.9 mm-40 -38.43 -46.47 1.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.334 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.632 HD21 ' OG ' ' A' ' 71' ' ' SER . 82.4 mt -60.55 -62.99 1.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 109.293 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.467 ' O ' ' CG ' ' A' ' 119' ' ' LYS . 0.6 OUTLIER -44.75 -39.95 5.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 110.013 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.526 ' HA ' ' CG ' ' A' ' 119' ' ' LYS . 1.8 mt-30 -68.04 -35.6 78.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.72 ' O ' HG12 ' A' ' 121' ' ' VAL . 20.5 t80 -82.53 -23.93 34.32 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.115 . . . . 0.0 111.034 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . 0.885 ' HZ3' HG21 ' A' ' 126' ' ' VAL . 63.3 m95 -85.86 -29.01 24.05 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.526 ' CG ' ' HA ' ' A' ' 116' ' ' GLN . 0.0 OUTLIER -82.5 -16.88 47.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 0.0 109.309 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -100.28 -44.22 6.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.72 HG12 ' O ' ' A' ' 117' ' ' PHE . 7.1 p -69.6 120.04 74.81 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.554 ' O ' HG12 ' A' ' 126' ' ' VAL . 18.3 Cg_endo -74.98 167.22 27.53 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.548 ' HA ' HG12 ' A' ' 126' ' ' VAL . 0.0 OUTLIER -76.97 1.16 18.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.342 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -102.63 -10.03 19.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.527 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 33.3 mmtt -107.01 -29.68 9.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.885 HG21 ' HZ3' ' A' ' 118' ' ' TRP . 8.9 p -87.76 136.48 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . 0.456 ' O ' ' HA ' ' A' ' 99' ' ' MET . 62.4 ttp -81.11 152.21 27.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.49 ' HB3' HD21 ' A' ' 97' ' ' LEU . 49.8 mt-10 -134.09 131.12 38.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . 0.979 ' CD2' HG21 ' A' ' 21' ' ' ILE . 58.1 t60 -132.54 117.13 17.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.613 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.805 ' HD2' HD23 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -96.41 124.2 40.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.567 HD12 ' HG ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -92.74 155.3 17.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.522 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -126.49 144.45 50.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' CYS . . . . . 0.632 ' SG ' HG22 ' A' ' 90' ' ' VAL . 13.2 t -90.2 129.03 36.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 108.269 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -96.97 125.59 41.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.589 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 46.5 p -114.56 132.06 56.46 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 110.421 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.48 ' O ' HG13 ' A' ' 136' ' ' VAL . 11.3 p -167.55 113.94 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.2 151.55 33.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.18 -173.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.978 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 5.7 t -110.64 -61.74 1.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.994 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 1.2 mtmp? -131.19 152.38 80.51 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.514 1.134 . . . . 0.0 109.254 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -39.89 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.511 1.795 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 61.26 97.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.21 163.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.01 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.54 153.24 33.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.72 158.11 43.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.816 HD12 ' N ' ' A' ' 147' ' ' SER . 4.6 pp -105.64 -55.03 2.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . 0.816 ' N ' HD12 ' A' ' 146' ' ' LEU . 13.1 t 62.37 123.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.15 . . . . 0.0 110.019 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -45.79 105.12 0.08 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.537 1.148 . . . . 0.0 110.953 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 105.06 2.01 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.55 1.816 . . . . 0.0 111.045 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 1.4 t -71.58 155.35 40.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.023 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.93 -56.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 0.0 109.997 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.527 1.142 . . . . 0.0 110.973 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -160.4 118.42 2.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 0.766 . . . . 0.0 110.001 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.83 138.63 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.004 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.6 -92.98 0.11 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.449 1.093 . . . . 0.0 110.973 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -40.13 156.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 0.767 . . . . 0.0 110.004 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -149.74 115.48 5.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.983 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.63 110.31 2.63 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.456 1.098 . . . . 0.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.22 -174.02 4.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 0.769 . . . . 0.0 109.35 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.08 157.88 35.83 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.541 ' HA ' ' CE1' ' A' ' 28' ' ' TYR . 18.4 Cg_endo -75.02 106.96 2.38 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.468 1.772 . . . . 0.0 111.031 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.5 HD13 ' H ' ' A' ' 12' ' ' SER . 0.2 OUTLIER -129.76 166.14 20.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.5 ' H ' HD13 ' A' ' 11' ' ' LEU . 40.9 m 67.02 140.71 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.975 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -133.31 145.76 33.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.501 ' CD1' ' CE1' ' A' ' 129' ' ' HIS . 75.4 t80 -73.47 98.02 2.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 111.051 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.596 ' HA ' ' CG ' ' A' ' 20' ' ' HIS . 0.1 OUTLIER -67.85 62.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 14' ' ' PHE . . . -43.83 162.61 0.05 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.538 1.149 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -18.58 18.64 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.471 1.774 . . . . 0.0 110.962 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.756 ' O ' HG22 ' A' ' 46' ' ' VAL . 0.3 OUTLIER -127.8 -63.43 1.02 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.987 HD11 HD22 ' A' ' 43' ' ' LEU . 0.9 OUTLIER -113.95 128.22 56.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.787 ' N ' HD22 ' A' ' 19' ' ' LEU . 31.6 m170 -85.43 130.56 34.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.57 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.725 HD12 ' HB3' ' A' ' 129' ' ' HIS . 2.3 mt -102.48 147.57 8.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.137 . . . . 0.0 109.364 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.436 ' HA ' ' C ' ' A' ' 23' ' ' PRO . 0.9 OUTLIER -146.69 128.08 7.35 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.001 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.436 ' C ' ' HA ' ' A' ' 22' ' ' SER . 18.2 Cg_endo -74.99 -178.16 22.64 Favored 'Cis proline' 0 C--N 1.36 1.182 0 C-N-CA 120.963 -2.516 . . . . 0.0 110.977 -0.008 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.443 ' O ' ' NE2' ' A' ' 129' ' ' HIS . . . -64.21 -75.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.874 ' HA ' HD23 ' A' ' 131' ' ' LEU . 3.6 pt-20 -146.55 61.07 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.308 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.445 ' CG ' ' C ' ' A' ' 25' ' ' GLU . 8.1 mt-10 -154.2 102.43 2.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 1.092 HD22 HD22 ' A' ' 131' ' ' LEU . 0.2 OUTLIER -104.15 110.42 22.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.541 ' CE1' ' HA ' ' A' ' 10' ' ' PRO . 42.0 m-85 -96.49 93.42 6.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.565 ' CE2' ' HB3' ' A' ' 27' ' ' LEU . 88.1 m-85 -86.12 94.08 9.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 111.038 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 125.32 111.11 1.82 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.7 m -111.65 160.61 17.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 0.745 . . . . 0.0 110.017 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.405 ' O ' ' C ' ' A' ' 33' ' ' GLU . 1.0 OUTLIER -58.16 114.12 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 32' ' ' ILE . 5.1 pt-20 38.38 58.47 1.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.271 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.1 t -110.18 -23.45 11.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 110.001 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.9 -118.58 5.88 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.534 1.146 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -49.38 111.96 0.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.766 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.4 mttt -79.43 62.48 3.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.495 ' HD3' HG23 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -116.69 139.94 49.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 109.316 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.597 HG21 HD12 ' A' ' 27' ' ' LEU . 10.1 t -100.96 157.92 16.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.405 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.7 HD11 ' HB3' ' A' ' 79' ' ' ASP . 3.4 tp -132.08 119.62 21.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.264 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.584 ' N ' HD12 ' A' ' 40' ' ' LEU . 30.6 mt -89.24 161.84 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.449 ' N ' ' CG2' ' A' ' 41' ' ' ILE . 2.1 t -135.6 131.81 51.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.987 HD22 HD11 ' A' ' 19' ' ' LEU . 42.1 mt -112.76 107.08 15.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.3 m -92.32 110.94 22.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.457 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' A' ' 73' ' ' ASP . 33.1 t-20 -76.43 97.87 4.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.756 HG22 ' O ' ' A' ' 18' ' ' LEU . 33.8 m -80.5 -26.8 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.514 HG23 ' HA ' ' A' ' 18' ' ' LEU . 2.0 p -68.92 163.17 25.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.381 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.9 tptt -92.25 29.77 1.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 56.7 m-80 -155.23 157.32 37.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.736 HG22 ' OG ' ' A' ' 71' ' ' SER . 15.4 mt -58.47 146.36 8.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.352 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.936 HG11 ' HB2' ' A' ' 19' ' ' LEU . 73.0 t -120.96 106.11 17.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.787 ' HB3' ' HE2' ' A' ' 117' ' ' PHE . . . -72.57 104.74 3.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.539 ' CZ ' ' HB3' ' A' ' 70' ' ' SER . 43.0 p90 -104.54 162.72 13.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.983 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.56 ' HE3' ' CD1' ' A' ' 118' ' ' TRP . 13.5 mttm -150.86 133.29 15.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.973 HG21 HG21 ' A' ' 80' ' ' ILE . 65.2 t -96.53 123.12 48.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.98 131.72 39.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.255 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.435 HG23 ' H ' ' A' ' 59' ' ' ALA . 4.7 t -128.92 169.51 14.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.403 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 23.9 p -89.55 24.05 2.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.426 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.852 ' HB1' ' HD3' ' A' ' 62' ' ' LYS . . . -173.52 73.99 0.38 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -3.13 13.47 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.507 1.793 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -107.98 22.36 16.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.291 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.852 ' HD3' ' HB1' ' A' ' 59' ' ' ALA . 1.4 mtpm? -137.94 -46.48 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.62 ' CE2' ' CG ' ' A' ' 94' ' ' ASP . 27.2 m-85 -104.05 136.38 43.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -97.53 116.47 29.79 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.452 1.095 . . . . 0.0 110.261 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.49 ' O ' ' CG2' ' A' ' 65' ' ' VAL . 0.7 OUTLIER -117.59 116.32 51.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.341 179.929 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.438 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.0 OUTLIER -150.27 126.55 5.16 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.709 ' O ' HG23 ' A' ' 80' ' ' ILE . 18.2 Cg_endo -75.02 157.12 99.8 Favored 'Cis proline' 0 C--N 1.359 1.113 0 C-N-CA 121.013 -2.495 . . . . 0.0 110.976 0.05 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.444 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 54.3 p -113.19 -24.27 9.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.946 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -135.7 97.15 3.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.539 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 5.7 t -162.4 -179.56 7.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.983 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.736 ' OG ' HG22 ' A' ' 50' ' ' ILE . 1.5 t -129.57 154.77 46.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.022 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 44.5 t -115.19 133.72 55.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 108.275 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.532 ' OD2' ' CB ' ' A' ' 76' ' ' ALA . 0.4 OUTLIER -72.27 162.81 71.83 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.427 ' HA ' ' CG ' ' A' ' 45' ' ' ASN . 18.4 Cg_endo -75.02 135.7 19.37 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.501 1.79 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.82 13.96 83.06 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.545 1.153 . . . . 0.0 110.968 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.532 ' CB ' ' OD2' ' A' ' 73' ' ' ASP . . . -123.85 -178.98 4.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 4.0 p -144.43 138.18 27.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.987 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.852 HG22 ' HB2' ' A' ' 43' ' ' LEU . 0.9 OUTLIER -104.44 170.22 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.7 ' HB3' HD11 ' A' ' 40' ' ' LEU . 7.0 m-20 -131.05 122.59 27.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.973 HG21 HG21 ' A' ' 55' ' ' VAL . 5.2 mm -116.71 97.32 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.248 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.495 HG23 ' HD3' ' A' ' 38' ' ' LYS . 3.1 mp -73.84 120.23 22.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.642 ' CG1' ' CZ ' ' A' ' 96' ' ' PHE . 61.8 t -111.62 97.33 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.585 1.178 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.29 126.79 28.2 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 110.014 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.418 ' HA ' ' HA ' ' A' ' 63' ' ' TYR . 18.3 Cg_endo -75.02 179.7 5.84 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.524 1.802 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.402 ' O ' ' O ' ' A' ' 84' ' ' PRO . 0.8 OUTLIER -57.59 -161.13 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.603 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -129.55 49.37 0.93 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.521 1.138 . . . . 0.0 110.968 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 178.46 -59.28 0.09 OUTLIER Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.2 pp -64.88 -172.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 0.765 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.449 ' OG1' ' N ' ' A' ' 90' ' ' VAL . 2.1 t -124.62 176.76 6.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 110.441 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.451 ' CG2' ' SG ' ' A' ' 133' ' ' CYS . 3.5 m -100.91 -2.12 9.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 90' ' ' VAL . 2.2 m 38.41 -149.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.981 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -135.43 24.35 3.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -111.26 -28.4 8.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.62 ' CG ' ' CE2' ' A' ' 63' ' ' TYR . 0.6 OUTLIER -68.26 147.11 52.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.6 tpp180 -135.06 142.28 46.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.079 . . . . 0.0 110.326 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.642 ' CZ ' ' CG1' ' A' ' 82' ' ' VAL . 20.3 m-85 -109.68 112.8 25.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.689 HD12 ' O ' ' A' ' 129' ' ' HIS . 18.7 tp -100.05 137.87 37.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.753 ' CD1' HD12 ' A' ' 131' ' ' LEU . 3.9 mt -132.39 118.52 35.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.694 ' HE3' ' CH2' ' A' ' 118' ' ' TRP . 30.7 mtm -89.86 161.05 16.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 0.0 111.03 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.584 ' HB3' ' CE ' ' A' ' 127' ' ' MET . . . -163.82 117.27 1.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.67 ' HB2' HG23 ' A' ' 126' ' ' VAL . . . -126.88 133.18 50.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.512 ' HG3' HG21 ' A' ' 47' ' ' THR . 0.9 OUTLIER -69.41 111.18 5.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 110.288 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.587 ' HG2' ' CZ ' ' A' ' 117' ' ' PHE . 0.0 OUTLIER -85.66 171.71 11.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 111.009 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -70.46 -142.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 110.353 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -75.59 -156.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 10.8 m -55.24 110.96 0.76 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.028 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.539 ' O ' HG23 ' A' ' 109' ' ' THR . 0.6 OUTLIER -111.81 157.97 19.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 110.011 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 109' ' ' THR . . . -58.48 -16.36 28.53 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.56 1.163 . . . . 0.0 111.031 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.539 HG23 ' O ' ' A' ' 107' ' ' SER . 40.4 p 36.98 50.99 0.94 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 0.777 . . . . 0.0 110.391 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.458 ' O ' HD12 ' A' ' 114' ' ' LEU . . . -115.48 -169.89 15.94 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.488 1.118 . . . . 0.0 111.021 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -16.37 20.05 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.529 1.805 . . . . 0.0 110.998 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -92.0 -72.88 0.57 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -38.64 -45.03 1.04 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.458 HD12 ' O ' ' A' ' 110' ' ' GLY . 95.1 mt -62.24 -65.02 0.75 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -38.03 -32.59 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 110.065 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.422 ' N ' ' C ' ' A' ' 114' ' ' LEU . 5.0 mm-40 -76.86 -56.79 4.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.866 ' O ' HG12 ' A' ' 121' ' ' VAL . 38.8 t80 -54.8 -35.3 63.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . 0.87 ' HZ3' HG21 ' A' ' 126' ' ' VAL . 70.5 m95 -72.98 -17.05 61.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 108.024 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.34 -23.09 19.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.421 ' CG ' ' N ' ' A' ' 121' ' ' VAL . 1.0 OUTLIER -95.6 -43.54 7.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 110.309 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.866 HG12 ' O ' ' A' ' 117' ' ' PHE . 9.1 p -71.17 118.57 67.03 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.59 ' O ' HG12 ' A' ' 126' ' ' VAL . 18.4 Cg_endo -74.94 168.87 23.87 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.493 1.786 . . . . 0.0 111.034 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.538 ' HA ' HG12 ' A' ' 126' ' ' VAL . 0.0 OUTLIER -76.8 1.51 17.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.288 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -102.13 -12.35 18.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.511 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 27.1 mmtt -104.67 -30.4 9.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.87 HG21 ' HZ3' ' A' ' 118' ' ' TRP . 8.0 p -87.16 132.62 32.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . 0.584 ' CE ' ' HB3' ' A' ' 100' ' ' ALA . 17.4 tmm? -79.63 140.31 37.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.457 ' HB3' HD11 ' A' ' 97' ' ' LEU . 39.5 mt-10 -122.19 121.98 38.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . 0.725 ' HB3' HD12 ' A' ' 21' ' ' ILE . 43.4 t60 -121.43 133.48 55.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.636 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 2.6 mpp_? -108.77 133.94 52.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 1.092 HD22 HD22 ' A' ' 27' ' ' LEU . 0.7 OUTLIER -106.34 162.41 13.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.247 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.472 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 0.7 OUTLIER -130.46 152.57 49.7 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 110.261 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' CYS . . . . . 0.451 ' SG ' ' CG2' ' A' ' 90' ' ' VAL . 6.3 t -85.66 126.32 33.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.133 . . . . 0.0 108.295 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 -95.79 74.54 3.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.604 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 9.4 p -39.09 117.22 0.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.385 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 21.4 m -95.95 175.3 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 53.18 175.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.323 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -122.77 161.58 23.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.976 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 6.2 t -58.01 138.95 55.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.973 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.52 149.46 64.8 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -56.73 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.519 1.8 . . . . 0.0 111.045 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -170.78 154.68 4.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 2.3 t -121.4 163.37 18.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.979 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.98 163.53 22.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.58 136.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 1.1 mp -132.2 69.09 1.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 98.9 p -139.61 150.26 44.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 109.95 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -65.03 -167.15 1.5 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.493 1.121 . . . . 0.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -55.11 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.481 1.779 . . . . 0.0 111.043 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 75.55 -58.77 0.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.049 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.41 -58.47 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.001 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.522 1.139 . . . . 0.0 110.958 -179.976 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.0 t -147.47 110.89 4.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 0.735 . . . . 0.0 110.009 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.8 t -178.66 121.47 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.055 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.65 160.89 29.56 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.465 1.103 . . . . 0.0 110.945 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m -83.5 167.41 17.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 0.767 . . . . 0.0 110.033 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.2 p -126.9 169.17 13.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.027 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.63 143.27 5.82 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.466 1.104 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -137.2 149.52 47.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 0.78 . . . . 0.0 109.294 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt -69.62 161.42 74.37 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.269 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 158.93 41.92 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.499 1.789 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mp -93.09 -167.53 1.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.7 m -114.79 130.78 56.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 110.001 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 43.1 t -131.77 126.96 58.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -73.99 95.45 2.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.582 ' HD3' ' CE1' ' A' ' 20' ' ' HIS . 2.5 mmtp -66.71 82.91 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.633 ' N ' ' CD2' ' A' ' 20' ' ' HIS . . . -70.36 163.84 52.72 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.409 ' O ' HD23 ' A' ' 18' ' ' LEU . 18.4 Cg_endo -75.02 -17.22 19.67 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.53 1.805 . . . . 0.0 110.977 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.555 ' HA ' HG23 ' A' ' 47' ' ' THR . 2.6 mt -125.36 -76.47 0.59 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.58 ' HB2' HG11 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -111.94 123.87 51.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.256 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.633 ' CD2' ' N ' ' A' ' 16' ' ' GLY . 40.0 m170 -74.95 159.01 32.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.645 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.597 HG21 ' HD2' ' A' ' 129' ' ' HIS . 1.2 mm -120.38 131.46 72.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.487 ' HA ' ' HA ' ' A' ' 23' ' ' PRO . 1.2 t -136.93 119.31 11.5 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.954 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.487 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 18.2 Cg_endo -75.0 -161.56 2.52 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 120.982 -2.508 . . . . 0.0 111.026 -0.058 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.75 -96.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.465 ' O ' ' CG ' ' A' ' 132' ' ' ARG . 4.4 mt-10 -124.16 62.64 1.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.406 ' O ' ' HG2' ' A' ' 23' ' ' PRO . 0.0 OUTLIER -162.44 102.72 1.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.297 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.635 ' CD2' HG21 ' A' ' 39' ' ' THR . 2.7 tp -100.11 124.45 45.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.152 . . . . 0.0 109.335 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -118.97 95.93 5.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.402 ' CG ' HG21 ' A' ' 90' ' ' VAL . 37.1 m-85 -80.84 101.55 9.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 111.034 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.46 89.01 1.69 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.521 1.138 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.0 m -107.72 122.78 47.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 0.764 . . . . 0.0 110.006 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt 69.0 -75.48 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -75.68 137.3 40.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 0.0 110.31 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.3 m -84.04 -10.84 57.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.991 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -76.13 133.73 14.64 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.483 1.114 . . . . 0.0 111.055 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 50.61 96.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 0.766 . . . . 0.0 110.31 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.3 mtpt -99.53 61.24 1.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.431 ' CB ' ' HB2' ' A' ' 83' ' ' SER . 0.0 OUTLIER -115.67 145.63 42.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.635 HG21 ' CD2' ' A' ' 27' ' ' LEU . 10.0 t -103.96 136.42 43.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 110.418 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.681 HD12 ' N ' ' A' ' 41' ' ' ILE . 0.4 OUTLIER -112.59 117.75 33.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.923 HD13 HD11 ' A' ' 98' ' ' ILE . 16.7 mt -93.3 146.41 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.813 ' C ' HD13 ' A' ' 43' ' ' LEU . 1.8 t -131.74 140.17 48.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.907 HD23 ' CG2' ' A' ' 78' ' ' ILE . 0.1 OUTLIER -123.49 147.24 47.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.405 ' C ' HD13 ' A' ' 19' ' ' LEU . 9.7 m -116.97 110.77 18.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.434 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.432 ' CG ' ' HA ' ' A' ' 74' ' ' PRO . 45.6 t-20 -75.16 86.01 2.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.618 HG11 ' CE1' ' A' ' 20' ' ' HIS . 17.0 m -71.0 -28.61 33.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.555 HG23 ' HA ' ' A' ' 18' ' ' LEU . 2.8 p -66.16 158.41 28.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.375 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.36 28.11 3.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 -148.68 143.91 26.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.564 HD12 ' HB2' ' A' ' 107' ' ' SER . 16.0 mt -44.99 145.51 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.58 HG11 ' HB2' ' A' ' 19' ' ' LEU . 94.9 t -128.3 122.9 58.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.522 ' O ' ' CZ2' ' A' ' 118' ' ' TRP . . . -90.02 109.53 20.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.583 ' CE1' HD13 ' A' ' 78' ' ' ILE . 51.9 p90 -102.9 160.68 14.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 111.035 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.58 ' HE3' ' CD1' ' A' ' 118' ' ' TRP . 29.8 mttm -152.29 131.08 12.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 1.044 HG21 HG21 ' A' ' 80' ' ' ILE . 46.3 t -102.03 137.62 29.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.1 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.578 ' HG3' HD23 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -145.62 166.41 25.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.349 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.427 ' OG1' ' N ' ' A' ' 58' ' ' THR . 0.4 OUTLIER -160.76 170.93 19.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.393 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.427 ' N ' ' OG1' ' A' ' 57' ' ' THR . 54.4 p -81.11 5.76 15.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.375 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.878 ' HB1' ' HD3' ' A' ' 62' ' ' LYS . . . -155.76 74.8 5.12 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -21.41 15.89 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.495 1.787 . . . . 0.0 110.959 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -90.27 29.07 1.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.102 . . . . 0.0 110.33 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.878 ' HD3' ' HB1' ' A' ' 59' ' ' ALA . 1.8 mtpm? -141.27 -46.32 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.414 ' CE2' ' HB3' ' A' ' 59' ' ' ALA . 26.2 m-85 -105.82 122.81 46.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 111.035 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -88.96 107.13 18.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 1.015 HG11 HG11 ' A' ' 55' ' ' VAL . 3.3 t -102.31 137.2 31.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.498 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.0 OUTLIER -163.3 132.35 2.99 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.723 ' HD2' HD13 ' A' ' 80' ' ' ILE . 18.2 Cg_endo -75.05 142.31 74.31 Favored 'Cis proline' 0 C--N 1.36 1.184 0 C-N-CA 120.967 -2.514 . . . . 0.0 110.993 0.042 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.428 ' HB3' ' O ' ' A' ' 65' ' ' VAL . 6.9 p -113.36 26.58 10.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.968 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 176.33 82.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.3 -179.64 7.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 109.986 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.422 ' HA ' ' O ' ' A' ' 51' ' ' VAL . 97.6 p -126.6 160.98 29.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.01 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.428 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 27.6 t -120.86 139.97 52.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 108.301 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -72.39 160.09 83.69 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.432 ' HA ' ' CG ' ' A' ' 45' ' ' ASN . 18.5 Cg_endo -74.92 125.25 9.24 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.525 1.803 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.47 34.47 16.54 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.423 1.077 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -143.23 178.22 7.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 0.733 . . . . 0.0 109.327 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.428 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 1.8 p -136.77 134.43 37.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.005 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.907 ' CG2' HD23 ' A' ' 43' ' ' LEU . 1.2 tt -105.04 169.79 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.415 ' OD1' HG22 ' A' ' 42' ' ' VAL . 1.6 m-20 -130.43 129.83 43.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 1.044 HG21 HG21 ' A' ' 55' ' ' VAL . 1.3 mm -122.96 103.03 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.2 mp -74.82 145.94 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.748 ' CG2' HG13 ' A' ' 65' ' ' VAL . 5.2 t -140.21 105.21 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.431 ' HB2' ' CB ' ' A' ' 38' ' ' LYS . 23.2 t -127.35 143.82 48.59 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.982 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 176.66 9.62 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.57 1.826 . . . . 0.0 110.965 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.42 ' HD2' HD23 ' A' ' 88' ' ' LEU . 0.5 OUTLIER -91.89 134.41 34.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.555 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -54.49 119.48 12.44 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.539 1.15 . . . . 0.0 111.029 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 126.42 -41.94 1.56 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.565 ' C ' HD12 ' A' ' 88' ' ' LEU . 3.0 pp -97.63 -166.27 1.36 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 0.8 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.448 ' N ' HD12 ' A' ' 88' ' ' LEU . 0.8 OUTLIER -148.34 173.81 12.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 110.378 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.446 ' N ' ' OG1' ' A' ' 89' ' ' THR . 94.3 t -75.4 115.21 16.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.94 -161.33 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.002 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.401 ' HB2' ' O ' ' A' ' 136' ' ' VAL . . . -117.03 -45.69 2.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -68.74 -9.57 51.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.291 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.2 p30 -68.01 118.06 10.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.425 ' HG3' ' N ' ' A' ' 96' ' ' PHE . 5.4 tpp180 -117.87 144.8 45.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.318 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.518 ' CZ ' HG11 ' A' ' 82' ' ' VAL . 24.0 m-85 -110.94 154.07 24.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 111.044 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.578 HD23 ' HG3' ' A' ' 56' ' ' ARG . 19.1 tp -137.69 138.21 39.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.923 HD11 HD13 ' A' ' 41' ' ' ILE . 3.3 mt -128.5 118.92 48.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.695 ' HE3' ' CZ3' ' A' ' 118' ' ' TRP . 20.7 mtm -96.98 157.11 16.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 110.98 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.497 ' HB1' ' HB2' ' A' ' 19' ' ' LEU . . . -162.2 117.59 1.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 0.0 109.276 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.927 ' HB2' HG23 ' A' ' 126' ' ' VAL . . . -126.82 135.93 51.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.422 ' HG3' HG21 ' A' ' 47' ' ' THR . 2.6 tt0 -74.84 122.51 23.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.293 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.545 ' HG2' ' CE1' ' A' ' 117' ' ' PHE . 17.7 mtp -92.54 170.8 9.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.962 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -73.25 -145.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -85.62 -80.21 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.357 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.4 m -70.69 117.31 12.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.008 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.564 ' HB2' HD12 ' A' ' 50' ' ' ILE . 18.9 m -141.98 118.96 11.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 110.02 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -66.15 -15.29 62.84 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.452 1.095 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.517 HG21 HD13 ' A' ' 50' ' ' ILE . 46.2 p 40.83 52.07 3.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 110.408 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -120.86 -169.0 13.71 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.431 1.082 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -17.86 19.33 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.541 1.811 . . . . 0.0 111.006 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -91.74 -72.41 0.59 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 112' ' ' ALA . 3.1 mm-40 -38.15 -45.9 0.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 110.259 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 76.5 mt -61.43 -65.4 0.7 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -38.47 -38.93 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.991 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -74.82 -53.44 9.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.851 ' O ' HG12 ' A' ' 121' ' ' VAL . 89.8 t80 -56.23 -35.8 67.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 110.95 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . 0.874 ' CZ3' HG21 ' A' ' 126' ' ' VAL . 68.7 m95 -73.64 -16.98 61.21 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.39 -22.74 18.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -95.1 -40.81 9.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.851 HG12 ' O ' ' A' ' 117' ' ' PHE . 7.6 p -73.23 118.93 72.84 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.54 ' O ' HG12 ' A' ' 126' ' ' VAL . 18.4 Cg_endo -74.96 170.21 20.91 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.459 1.768 . . . . 0.0 111.033 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.59 ' HA ' HG12 ' A' ' 126' ' ' VAL . 0.0 OUTLIER -77.45 1.01 20.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.276 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.486 ' N ' ' HD2' ' A' ' 123' ' ' ARG . 38.8 t30 -99.91 -17.43 17.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.496 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 25.5 mmtt -100.37 -28.78 12.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.927 HG23 ' HB2' ' A' ' 101' ' ' ALA . 12.2 p -93.3 136.86 23.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . 0.463 ' CE ' ' O ' ' A' ' 19' ' ' LEU . 64.4 ttp -81.37 154.76 26.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.972 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.492 ' HB3' HD11 ' A' ' 97' ' ' LEU . 27.8 mt-10 -141.06 117.17 10.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . 0.597 ' HD2' HG21 ' A' ' 21' ' ' ILE . 55.7 t60 -120.72 124.97 46.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.619 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.487 ' HG3' HD13 ' A' ' 97' ' ' LEU . 3.6 mpp_? -97.85 123.25 41.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.736 HD12 ' CD1' ' A' ' 98' ' ' ILE . 0.3 OUTLIER -94.72 157.81 15.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.465 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 0.2 OUTLIER -123.34 149.01 45.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.27 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 90.0 m -94.21 123.13 37.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 108.29 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -93.87 88.26 5.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.587 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.568 HG23 ' N ' ' A' ' 136' ' ' VAL . 12.8 t -145.23 -144.88 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.359 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.568 ' N ' HG23 ' A' ' 135' ' ' THR . 27.3 m -98.13 -175.32 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.245 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -136.58 172.9 12.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.94 173.76 6.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.017 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 38.0 t -147.11 110.2 4.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.998 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -135.49 154.78 78.62 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -177.73 3.67 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.506 1.793 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -118.56 -63.84 1.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.157 . . . . 0.0 109.344 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 22.7 t -151.16 -175.75 5.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.986 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -109.82 129.02 55.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 2.1 mtp -60.17 133.91 56.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.427 ' O ' ' CB ' ' A' ' 147' ' ' SER . 0.3 OUTLIER -55.68 162.82 1.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 146' ' ' LEU . 0.4 OUTLIER 79.42 -70.93 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 110.016 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -157.43 144.66 10.85 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.534 1.146 . . . . 0.0 110.963 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 170.43 20.44 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.478 1.778 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 52.2 p -125.87 105.23 8.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.995 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.6 165.79 0.13 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.997 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.504 1.128 . . . . 0.0 110.978 -179.993 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t 74.82 -58.32 0.58 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 0.772 . . . . 0.0 110.012 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.12 129.58 2.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.959 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.93 174.3 46.71 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.7 p -79.45 159.01 27.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 110.057 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -159.24 142.92 14.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.454 1.096 . . . . 0.0 110.027 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.85 118.43 1.65 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.472 1.107 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -165.57 146.85 7.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 0.792 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.63 153.7 58.48 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 133.67 16.86 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.525 1.803 . . . . 0.0 110.963 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -117.34 117.15 28.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.9 m -149.43 163.07 38.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 110.026 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.838 HG13 ' O ' ' A' ' 21' ' ' ILE . 71.3 t -136.05 127.4 43.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.752 ' CG ' ' CE1' ' A' ' 129' ' ' HIS . 68.0 t80 -73.86 95.46 2.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 111.024 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.581 ' HD3' ' CE1' ' A' ' 20' ' ' HIS . 23.3 mmtp -65.41 114.23 4.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.504 ' H ' ' CD2' ' A' ' 20' ' ' HIS . . . -99.06 160.25 20.06 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.492 1.12 . . . . 0.0 110.965 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.427 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.3 Cg_endo -75.09 -14.85 20.82 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.473 1.775 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.568 ' HA ' HG23 ' A' ' 47' ' ' THR . 2.8 mt -125.94 -75.79 0.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.624 HD21 ' HB3' ' A' ' 72' ' ' CYS . 0.0 OUTLIER -108.01 139.14 43.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.1 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.649 ' NE2' HG11 ' A' ' 46' ' ' VAL . 17.1 m170 -86.88 156.89 19.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.568 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.838 ' O ' HG13 ' A' ' 13' ' ' VAL . 2.9 mm -124.58 144.61 33.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.425 ' O ' ' HA ' ' A' ' 41' ' ' ILE . 6.7 t -155.41 127.35 3.85 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.022 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.425 ' C ' ' HA ' ' A' ' 22' ' ' SER . 18.2 Cg_endo -75.01 -176.69 18.6 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 120.953 -2.52 . . . . 0.0 110.994 -0.011 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.93 -93.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.436 ' HA ' HD23 ' A' ' 131' ' ' LEU . 3.5 pt-20 -132.7 60.57 1.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 110.283 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 23' ' ' PRO . 2.2 pt-20 -163.11 103.8 0.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.734 ' HG ' HD22 ' A' ' 131' ' ' LEU . 33.8 mt -99.5 142.95 30.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.452 ' CE1' ' HB3' ' A' ' 134' ' ' HIS . 2.1 m-85 -132.56 97.84 4.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -84.86 87.65 7.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 149.21 127.51 1.58 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.3 m -109.76 158.14 18.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.531 0.783 . . . . 0.0 109.996 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 24.0 mt -50.39 -37.07 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.13 -176.66 1.2 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 110.249 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.0 p -101.42 29.46 4.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.028 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.81 -132.25 0.03 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -120.33 159.03 25.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 0.749 . . . . 0.0 110.298 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.5 mtmt -91.44 70.24 5.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.694 ' HD2' HG23 ' A' ' 81' ' ' ILE . 0.3 OUTLIER -130.25 141.14 50.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.355 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.531 HG21 HD22 ' A' ' 27' ' ' LEU . 9.2 t -108.92 144.81 36.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.386 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.863 HD12 ' N ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -118.52 117.1 28.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.972 HD13 HD11 ' A' ' 98' ' ' ILE . 72.4 mt -91.3 135.34 27.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.6 t -107.57 142.07 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.845 ' HB2' HG22 ' A' ' 78' ' ' ILE . 18.4 mt -127.37 106.48 9.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -97.99 108.04 20.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.393 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.545 ' OD1' HD22 ' A' ' 19' ' ' LEU . 29.5 t30 -76.24 113.35 13.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.649 HG11 ' NE2' ' A' ' 20' ' ' HIS . 22.3 m -89.45 -30.47 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.568 HG23 ' HA ' ' A' ' 18' ' ' LEU . 1.0 OUTLIER -65.02 151.54 45.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.403 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.3 28.89 1.79 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.63 ' O ' HG23 ' A' ' 51' ' ' VAL . 83.2 m-20 -144.25 137.48 27.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.665 HG23 ' OG ' ' A' ' 71' ' ' SER . 10.0 mt -42.01 137.88 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.085 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.643 HG22 ' HA ' ' A' ' 102' ' ' GLU . 53.3 t -130.71 125.3 58.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.83 ' HB2' ' SD ' ' A' ' 103' ' ' MET . . . -87.19 128.63 35.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.815 ' CE2' HD13 ' A' ' 78' ' ' ILE . 38.7 p90 -118.06 158.8 24.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.539 ' HD2' ' CD2' ' A' ' 118' ' ' TRP . 8.2 mttm -150.27 148.59 29.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 1.081 HG21 HG21 ' A' ' 80' ' ' ILE . 91.9 t -115.8 111.5 35.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 44.9 mtt-85 -108.13 169.92 8.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.307 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.4 t -172.35 166.74 5.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.425 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 40.2 p -86.61 14.54 6.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 110.366 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.581 ' HB1' ' HD3' ' A' ' 62' ' ' LYS . . . -162.76 74.52 2.05 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -7.64 19.37 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.492 1.785 . . . . 0.0 110.976 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -109.14 32.61 4.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 110.289 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.639 ' HE3' HD22 ' A' ' 88' ' ' LEU . 24.5 mtpt -144.56 -46.14 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -101.36 122.29 43.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -79.44 97.63 6.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 110.345 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.489 HG23 ' CB ' ' A' ' 68' ' ' SER . 0.6 OUTLIER -101.14 116.4 44.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.513 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.4 OUTLIER -156.92 132.73 5.83 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.743 ' HD2' HD13 ' A' ' 80' ' ' ILE . 18.4 Cg_endo -75.01 147.4 89.19 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 121.049 -2.479 . . . . 0.0 110.973 0.068 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.489 ' CB ' HG23 ' A' ' 65' ' ' VAL . 1.9 p -112.99 -0.15 14.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 110.038 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.407 ' O ' ' HB2' ' A' ' 70' ' ' SER . 5.2 p30 -155.0 113.0 3.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.443 ' C ' HD11 ' A' ' 114' ' ' LEU . 0.1 OUTLIER 172.32 -165.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.998 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.922 ' HB3' HG22 ' A' ' 109' ' ' THR . 0.0 OUTLIER -138.93 160.54 39.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.017 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.624 ' HB3' HD21 ' A' ' 19' ' ' LEU . 28.1 t -121.59 116.93 25.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 108.289 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -46.92 160.47 0.33 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 121.52 6.63 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.455 1.766 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.11 41.3 8.11 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.431 1.082 . . . . 0.0 111.037 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -142.9 179.72 6.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 0.758 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.4 p -139.13 132.38 29.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.008 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.845 HG22 ' HB2' ' A' ' 43' ' ' LEU . 0.9 OUTLIER -104.94 171.82 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.477 ' CA ' HD11 ' A' ' 40' ' ' LEU . 69.3 m-20 -131.49 122.13 25.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 1.081 HG21 HG21 ' A' ' 55' ' ' VAL . 3.2 mm -116.56 104.44 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.694 HG23 ' HD2' ' A' ' 38' ' ' LYS . 2.6 mp -76.9 145.75 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.732 HG11 ' CZ ' ' A' ' 96' ' ' PHE . 95.6 t -139.85 99.44 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.7 t -120.85 130.92 24.63 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.03 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.54 ' HB2' HD11 ' A' ' 88' ' ' LEU . 18.4 Cg_endo -74.95 168.54 24.6 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.556 ' CD2' ' HA ' ' A' ' 62' ' ' LYS . 2.7 m-70 -62.85 137.53 58.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 109.618 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -64.74 85.55 0.07 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 163.52 -70.9 0.2 Allowed Glycine 0 CA--C 1.53 1.03 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.639 HD22 ' HE3' ' A' ' 62' ' ' LYS . 2.4 pp -54.01 -178.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 0.8 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.423 ' OG1' ' N ' ' A' ' 90' ' ' VAL . 0.1 OUTLIER -122.83 170.75 9.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.392 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.423 ' N ' ' OG1' ' A' ' 89' ' ' THR . 39.2 t -98.17 106.1 18.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.128 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.1 m -106.79 168.74 8.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.965 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -92.24 35.85 1.0 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.108 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -108.92 -24.91 11.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.12 . . . . 0.0 110.268 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -84.85 162.58 19.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.18 152.31 37.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.732 ' CZ ' HG11 ' A' ' 82' ' ' VAL . 48.5 m-85 -117.82 152.54 35.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -137.22 103.79 5.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.972 HD11 HD13 ' A' ' 41' ' ' ILE . 3.7 mt -92.09 132.2 37.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.673 ' HE3' ' CZ3' ' A' ' 118' ' ' TRP . 27.4 mtm -111.42 155.03 23.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.559 ' C ' HG23 ' A' ' 126' ' ' VAL . . . -158.73 117.15 2.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.337 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.71 ' HB2' ' CB ' ' A' ' 126' ' ' VAL . . . -129.69 139.65 51.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.643 ' HA ' HG22 ' A' ' 51' ' ' VAL . 0.7 OUTLIER -69.73 127.36 32.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 110.281 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.83 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 16.6 mtp -96.64 171.94 8.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 111.028 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 103' ' ' MET . 3.2 mt-10 -60.57 -135.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.298 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.87 -81.57 0.49 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 110.274 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.5 m -94.46 104.22 16.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.031 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.49 145.14 36.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.023 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -87.88 140.16 16.27 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.556 1.16 . . . . 0.0 110.986 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.922 HG22 ' HB3' ' A' ' 71' ' ' SER . 19.4 p -93.53 60.09 3.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 0.772 . . . . 0.0 110.411 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.993 ' O ' HD23 ' A' ' 114' ' ' LEU . . . -103.34 -174.3 26.18 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -18.83 18.43 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.516 1.798 . . . . 0.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.466 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -92.67 -72.58 0.59 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' A' ' 112' ' ' ALA . 4.7 mm-40 -34.0 -40.47 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 110.326 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.993 HD23 ' O ' ' A' ' 110' ' ' GLY . 4.4 mm? -66.48 -69.83 0.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 119' ' ' LYS . 1.6 t -43.17 -44.46 5.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.966 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.48 ' HA ' ' CG ' ' A' ' 119' ' ' LYS . 1.4 mt-30 -63.56 -35.13 79.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.672 ' O ' HG12 ' A' ' 121' ' ' VAL . 84.1 t80 -85.62 -20.92 28.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . 0.859 ' CZ3' HG21 ' A' ' 126' ' ' VAL . 63.1 m95 -89.06 -27.72 20.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 108.008 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.48 ' CG ' ' HA ' ' A' ' 116' ' ' GLN . 0.0 OUTLIER -80.49 -20.87 42.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -95.67 -45.68 6.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.285 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.672 HG12 ' O ' ' A' ' 117' ' ' PHE . 6.9 p -69.69 121.23 81.81 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.567 ' O ' HG12 ' A' ' 126' ' ' VAL . 18.3 Cg_endo -74.99 166.78 28.49 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.518 1.799 . . . . 0.0 110.969 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.492 ' HA ' HG12 ' A' ' 126' ' ' VAL . 0.0 OUTLIER -76.79 1.59 16.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -102.29 -9.63 20.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.527 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 29.5 mmtt -106.99 -22.68 12.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.859 HG21 ' CZ3' ' A' ' 118' ' ' TRP . 7.6 p -97.29 144.66 10.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . 0.447 ' CE ' ' HB3' ' A' ' 100' ' ' ALA . 34.1 ttp -85.03 119.37 25.35 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.142 . . . . 0.0 111.053 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -101.12 122.27 43.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 110.288 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . 0.752 ' CE1' ' CG ' ' A' ' 14' ' ' PHE . 36.9 t60 -127.96 119.55 25.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.568 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.88 138.86 31.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.328 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.815 HD12 ' CD1' ' A' ' 98' ' ' ILE . 0.3 OUTLIER -118.92 145.79 45.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 109.362 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -113.57 160.83 18.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 77.5 m -111.46 125.13 53.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 108.317 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.452 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -90.14 132.26 35.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.568 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 71.5 p -124.79 157.74 35.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.35 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 54.4 t -137.64 113.57 11.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 64.5 124.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 110.311 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 11.9 t -78.89 118.0 20.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.953 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.54 158.56 17.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.992 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 62.77 154.97 0.12 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 177.93 7.94 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.494 1.786 . . . . 0.0 110.962 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -60.19 141.01 56.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.71 155.08 33.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.99 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 4.6 mm? 62.03 142.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.91 161.48 41.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 111.04 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 56.3 tp -78.95 133.95 36.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.13 -60.78 1.79 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.564 1.165 . . . . 0.0 110.0 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -170.29 102.48 0.18 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.477 1.111 . . . . 0.0 111.022 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 174.42 12.82 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.487 1.783 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 71.68 142.15 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.995 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 17.0 m -149.82 98.92 2.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.155 . . . . 0.0 109.982 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.515 1.134 . . . . 0.0 111.037 179.973 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.1 p -148.1 114.17 5.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 0.789 . . . . 0.0 109.994 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.8 t -115.52 142.57 46.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.032 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.25 85.02 0.2 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.502 1.126 . . . . 0.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.76 -65.02 0.88 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 0.759 . . . . 0.0 109.99 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 55.28 84.61 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.995 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.92 150.94 6.52 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.466 1.104 . . . . 0.0 111.016 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.79 141.99 46.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.62 157.56 0.57 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -174.43 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.475 1.776 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -151.15 157.46 42.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.0 p -110.97 141.68 44.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.996 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.786 HG22 ' OG ' ' A' ' 22' ' ' SER . 95.0 t -136.92 120.37 22.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.459 ' CD2' ' ND1' ' A' ' 129' ' ' HIS . 34.8 t80 -73.37 95.1 2.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.978 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.459 ' HD3' ' ND1' ' A' ' 20' ' ' HIS . 22.2 mmtp -62.29 106.82 0.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.497 ' H ' ' CD2' ' A' ' 20' ' ' HIS . . . -92.96 159.6 24.61 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.554 1.159 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.448 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.3 Cg_endo -74.98 -15.59 20.71 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.493 1.786 . . . . 0.0 111.02 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.607 ' HA ' HG23 ' A' ' 47' ' ' THR . 0.3 OUTLIER -127.24 -73.6 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.274 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.686 HD23 ' CG1' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -108.26 127.36 53.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.497 ' CD2' ' H ' ' A' ' 16' ' ' GLY . 13.8 m170 -79.94 127.4 32.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.642 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 1.017 HG21 ' CD2' ' A' ' 129' ' ' HIS . 1.4 mm -95.53 143.79 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.786 ' OG ' HG22 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -152.05 131.0 6.52 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 109.975 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.536 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 18.4 Cg_endo -74.95 -161.13 2.38 Favored 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 121.052 -2.478 . . . . 0.0 111.04 -0.085 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.25 -107.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.441 ' HB2' ' CD ' ' A' ' 132' ' ' ARG . 0.9 OUTLIER -105.07 65.23 0.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.587 1.179 . . . . 0.0 110.263 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.536 ' O ' ' HG2' ' A' ' 23' ' ' PRO . 7.9 pt-20 -163.0 144.58 9.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.429 1.081 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.678 ' HG ' HG21 ' A' ' 39' ' ' THR . 1.7 tp -147.87 122.3 9.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.459 ' CE1' ' HB3' ' A' ' 134' ' ' HIS . 2.8 m-85 -121.89 126.37 48.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.519 ' CG ' HG21 ' A' ' 90' ' ' VAL . 8.4 m-85 -110.83 97.78 7.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -133.11 174.36 20.63 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.523 1.139 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.4 m -70.16 140.75 52.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 0.791 . . . . 0.0 110.003 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.9 mt -126.45 -67.6 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -168.02 -61.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 110.317 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.09 22.69 14.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.99 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -143.05 131.24 4.48 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -94.99 100.26 12.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 0.795 . . . . 0.0 110.281 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.0 mttm 49.95 83.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.446 ' CB ' ' HB2' ' A' ' 83' ' ' SER . 0.3 OUTLIER -149.14 162.68 39.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.678 HG21 ' HG ' ' A' ' 27' ' ' LEU . 3.9 t -118.49 161.32 20.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.403 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.51 ' CD1' ' C ' ' A' ' 80' ' ' ILE . 0.7 OUTLIER -132.25 117.09 17.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 1.0 HD13 HD11 ' A' ' 98' ' ' ILE . 28.9 mt -90.76 136.02 25.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.8 t -112.76 136.39 49.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.84 ' HB2' HG22 ' A' ' 78' ' ' ILE . 37.4 mt -119.99 106.91 12.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.4 m -96.15 109.0 21.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.421 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.415 ' CG ' ' HA ' ' A' ' 74' ' ' PRO . 56.1 t-20 -76.46 113.07 13.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.542 HG22 ' O ' ' A' ' 18' ' ' LEU . 7.5 m -91.76 -40.38 12.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.607 HG23 ' HA ' ' A' ' 18' ' ' LEU . 1.3 p -52.37 156.8 1.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.368 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.89 29.16 2.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.566 ' O ' HG23 ' A' ' 51' ' ' VAL . 9.5 m-80 -151.11 137.47 18.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.416 ' C ' ' O ' ' A' ' 49' ' ' ASN . 43.4 mt -38.96 147.09 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.954 HG22 ' HA ' ' A' ' 102' ' ' GLU . 41.0 t -138.54 125.31 26.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.835 ' HB1' ' CD1' ' A' ' 114' ' ' LEU . . . -82.12 137.11 35.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.835 ' CE2' HD13 ' A' ' 78' ' ' ILE . 17.9 p90 -126.62 162.48 25.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.998 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.572 ' HD2' ' CD1' ' A' ' 118' ' ' TRP . 24.7 mttt -155.15 156.12 35.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.733 HG21 HG21 ' A' ' 80' ' ' ILE . 21.7 t -137.39 121.47 22.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.519 ' CD ' ' HB3' ' A' ' 97' ' ' LEU . 5.0 ppt_? -136.36 172.9 12.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.403 ' OG1' ' N ' ' A' ' 58' ' ' THR . 0.1 OUTLIER -158.66 169.76 23.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.391 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.403 ' N ' ' OG1' ' A' ' 57' ' ' THR . 77.7 p -72.89 -2.69 21.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 110.411 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.722 ' HB1' ' CD ' ' A' ' 62' ' ' LYS . . . -148.98 75.73 9.76 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -14.97 20.88 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.525 1.803 . . . . 0.0 111.009 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.513 ' O ' ' CD2' ' A' ' 85' ' ' HIS . 15.2 pt-20 -93.03 15.72 14.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.722 ' CD ' ' HB1' ' A' ' 59' ' ' ALA . 4.8 mttp -128.03 -46.04 1.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.451 ' OH ' ' CB ' ' A' ' 94' ' ' ASP . 55.3 m-85 -102.12 116.11 31.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 111.027 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 83' ' ' SER . 2.5 tpt180 -81.01 99.59 8.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.723 HG13 HG22 ' A' ' 82' ' ' VAL . 2.6 t -97.95 131.77 44.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.511 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.4 OUTLIER -163.71 134.26 3.37 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.797 ' HD2' HD13 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -75.02 140.63 68.37 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 121.027 -2.489 . . . . 0.0 110.956 0.024 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.419 ' HB3' ' O ' ' A' ' 65' ' ' VAL . 11.7 p -111.92 40.87 2.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 110.01 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.419 ' O ' ' HB2' ' A' ' 70' ' ' SER . 6.4 p-10 167.51 108.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.58 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 21.4 t 172.09 -169.47 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 0.0 110.017 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.518 ' N ' ' OG ' ' A' ' 70' ' ' SER . 0.7 OUTLIER -137.45 154.01 49.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.004 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.445 ' HB3' HD21 ' A' ' 19' ' ' LEU . 52.5 t -114.48 117.42 30.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.455 1.097 . . . . 0.0 108.336 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.04 165.2 0.62 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.415 ' HA ' ' CG ' ' A' ' 45' ' ' ASN . 18.4 Cg_endo -74.96 134.62 18.1 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.534 1.807 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.87 30.73 61.07 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.448 1.092 . . . . 0.0 111.054 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -134.44 -179.84 5.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 0.775 . . . . 0.0 109.266 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.419 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 2.0 p -145.03 133.41 21.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.019 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.84 HG22 ' HB2' ' A' ' 43' ' ' LEU . 0.9 OUTLIER -105.4 169.42 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.406 ' O ' ' HD2' ' A' ' 67' ' ' PRO . 2.0 m-20 -130.4 123.19 29.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.797 HD13 ' HD2' ' A' ' 67' ' ' PRO . 2.2 mm -120.72 108.31 22.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.407 HD12 HD13 ' A' ' 40' ' ' LEU . 2.4 mp -78.49 146.74 7.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.723 HG22 HG13 ' A' ' 65' ' ' VAL . 7.3 t -140.62 101.98 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.446 ' HB2' ' CB ' ' A' ' 38' ' ' LYS . 47.7 t -126.69 146.87 58.62 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.973 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 177.1 9.02 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.501 1.79 . . . . 0.0 111.03 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.513 ' CD2' ' O ' ' A' ' 61' ' ' GLU . 0.2 OUTLIER -59.55 -24.19 63.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.62 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 102.25 -35.61 4.84 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.547 1.155 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -94.18 33.39 5.29 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.3 pp -163.31 177.77 8.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.757 . . . . 0.0 109.314 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.7 165.37 11.22 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.132 . . . . 0.0 110.414 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.519 HG21 ' CG ' ' A' ' 29' ' ' PHE . 3.1 t -76.66 -12.94 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.3 m 52.1 177.01 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.43 1.081 . . . . 0.0 110.006 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -109.81 -5.15 15.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -91.77 -34.12 14.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 110.299 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.451 ' CB ' ' OH ' ' A' ' 63' ' ' TYR . 1.9 p-10 -46.7 145.11 2.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 109.253 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.8 mmm180 -146.75 134.54 21.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 110.295 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.632 ' CZ ' ' CG1' ' A' ' 82' ' ' VAL . 69.0 m-85 -105.07 155.22 19.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.678 HD23 ' HD2' ' A' ' 130' ' ' ARG . 3.2 tm? -136.07 138.66 42.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 1.0 HD11 HD13 ' A' ' 41' ' ' ILE . 5.1 mt -127.88 141.79 45.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.342 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 4.5 mtp -117.76 155.12 30.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.964 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.447 ' HB3' ' HE2' ' A' ' 127' ' ' MET . . . -157.9 125.39 5.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.765 ' HB1' HG21 ' A' ' 121' ' ' VAL . . . -138.13 132.72 32.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.357 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.954 ' HA ' HG22 ' A' ' 51' ' ' VAL . 1.3 tt0 -68.72 116.54 9.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.297 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.648 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 21.8 mtp -88.67 172.56 9.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -91.01 -169.29 2.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.293 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -53.7 -81.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.286 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.66 128.14 35.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.009 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 10.7 m -167.26 109.28 0.65 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 110.011 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.405 ' O ' ' OG1' ' A' ' 109' ' ' THR . . . -81.01 -6.53 89.4 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.465 1.103 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.727 ' HA ' HD21 ' A' ' 114' ' ' LEU . 44.8 p 46.48 35.14 2.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 110.391 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.931 ' O ' HD23 ' A' ' 114' ' ' LEU . . . -86.12 -166.06 41.69 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -22.07 15.37 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.478 1.778 . . . . 0.0 111.04 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.484 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -93.11 -65.64 0.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.484 ' C ' ' O ' ' A' ' 112' ' ' ALA . 2.8 mm-40 -32.31 -40.41 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.304 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.931 HD23 ' O ' ' A' ' 110' ' ' GLY . 3.5 mm? -71.88 -69.03 0.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.6 -31.87 2.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.998 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.5 ' HA ' ' CG ' ' A' ' 119' ' ' LYS . 2.4 mt-30 -80.51 -31.56 37.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.685 ' HE2' ' HB3' ' A' ' 101' ' ' ALA . 82.9 t80 -83.84 -21.78 31.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . 0.637 ' HA ' HG12 ' A' ' 121' ' ' VAL . 63.4 m95 -87.21 -28.4 22.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 108.01 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.5 ' CG ' ' HA ' ' A' ' 116' ' ' GLN . 0.0 OUTLIER -81.3 -22.77 38.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.362 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.43 ' CG ' ' HD2' ' A' ' 119' ' ' LYS . 1.8 mt-10 -93.28 -44.99 8.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.765 HG21 ' HB1' ' A' ' 101' ' ' ALA . 5.9 p -69.27 125.13 91.74 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.737 ' O ' HG23 ' A' ' 126' ' ' VAL . 18.3 Cg_endo -74.95 154.47 42.75 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.502 1.791 . . . . 0.0 110.96 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.43 -32.69 62.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -63.02 -26.29 68.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.273 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.48 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 32.3 mmtt -101.16 7.47 43.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 122' ' ' PRO . 75.1 t -112.48 123.83 68.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . 0.501 ' HE1' ' CG1' ' A' ' 21' ' ' ILE . 16.6 ttp -90.52 101.69 14.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.473 ' HB3' HD21 ' A' ' 97' ' ' LEU . 6.1 mt-10 -86.11 124.58 32.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 110.353 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . 1.017 ' CD2' HG21 ' A' ' 21' ' ' ILE . 78.0 t60 -122.02 112.01 17.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.635 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.678 ' HD2' HD23 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -91.43 123.82 35.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.354 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.574 HD22 ' CD2' ' A' ' 129' ' ' HIS . 0.3 OUTLIER -92.52 144.06 25.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.337 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.441 ' CD ' ' HB2' ' A' ' 25' ' ' GLU . 4.8 ptp180 -123.19 142.07 51.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 9.7 t -78.54 149.7 33.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 108.297 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.459 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 6.8 t-80 -85.65 85.45 7.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.58 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 12.3 p -127.36 -178.88 4.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.398 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 6.5 p -155.97 163.66 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -46.47 120.25 2.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 46.7 t -171.77 135.01 0.83 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.021 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 7.4 t 67.07 166.79 0.23 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.965 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.0 115.98 2.39 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 170.3 20.72 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.482 1.78 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 70.16 149.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 28.5 m -109.18 97.89 7.42 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 110.046 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.402 ' HA ' HD22 ' A' ' 144' ' ' LEU . 0.3 OUTLIER -98.4 165.55 11.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.3 ttt -57.04 109.66 0.69 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.968 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.04 166.16 17.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 15.7 t -45.55 -54.31 7.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.002 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 53.18 -152.02 8.83 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 174.01 13.5 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.453 1.765 . . . . 0.0 111.004 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 70.8 m -54.17 104.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.973 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 53.7 p -87.14 164.13 16.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.017 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.489 1.118 . . . . 0.0 111.037 -179.98 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 t -157.07 160.57 39.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 0.773 . . . . 0.0 109.984 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.52 170.36 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.43 105.78 0.27 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.4 m -161.7 158.58 26.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 0.738 . . . . 0.0 109.983 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.39 137.21 1.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.034 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.15 138.51 3.27 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.91 168.17 11.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 0.735 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.55 155.43 36.51 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 158.75 41.68 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.49 1.784 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -159.49 166.26 31.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.2 m -118.42 148.28 42.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.033 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.625 HG22 ' CE ' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -132.75 143.09 40.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.339 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.733 ' CG ' ' CE1' ' A' ' 129' ' ' HIS . 21.6 t80 -73.28 96.26 2.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 110.976 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.625 ' CE ' HG22 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -58.42 99.84 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.47 ' H ' ' CD2' ' A' ' 20' ' ' HIS . . . -89.82 155.07 24.39 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.483 1.114 . . . . 0.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.424 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.3 Cg_endo -74.99 -19.66 17.65 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.455 1.766 . . . . 0.0 110.978 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.496 ' HA ' ' CG2' ' A' ' 47' ' ' THR . 3.1 mt -120.41 -75.61 0.59 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.626 HD22 ' OD1' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -109.64 134.46 51.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.303 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.608 ' CE1' ' HG3' ' A' ' 15' ' ' LYS . 10.5 m170 -80.75 156.06 26.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.656 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.779 HD13 ' CD2' ' A' ' 43' ' ' LEU . 2.7 mm -128.98 122.89 57.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.563 ' O ' HG23 ' A' ' 41' ' ' ILE . 4.5 t -131.66 128.93 21.92 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.978 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.497 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 18.3 Cg_endo -74.98 -162.56 2.82 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 121.001 -2.5 . . . . 0.0 111.009 -0.102 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.31 -98.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.276 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.507 ' O ' ' CG ' ' A' ' 132' ' ' ARG . 22.6 mt-10 -115.51 66.72 0.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.341 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.583 ' HG3' ' CE1' ' A' ' 28' ' ' TYR . 2.3 pt-20 -162.95 153.19 16.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.465 ' HA ' HD23 ' A' ' 27' ' ' LEU . 12.6 mt -149.76 127.3 11.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.662 ' CE2' ' CD2' ' A' ' 134' ' ' HIS . 3.7 m-85 -109.43 120.93 44.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.932 ' CE2' HG21 ' A' ' 90' ' ' VAL . 57.2 m-85 -111.99 50.87 0.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.955 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -168.97 98.82 0.14 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.47 160.19 15.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 0.789 . . . . 0.0 110.003 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.0 tt -55.07 -31.76 26.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -68.38 148.88 50.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.7 m -104.13 25.64 9.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.953 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -101.95 56.22 0.69 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.479 1.112 . . . . 0.0 111.047 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 71.42 123.38 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.557 0.798 . . . . 0.0 110.272 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -78.49 117.57 19.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.96 157.68 43.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.486 ' CG2' ' HB ' ' A' ' 82' ' ' VAL . 9.4 t -112.7 160.4 17.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.428 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.549 HD12 ' N ' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -131.74 117.9 19.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.563 HG23 ' O ' ' A' ' 22' ' ' SER . 11.4 mt -90.96 146.4 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.6 t -119.39 135.6 59.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.842 ' HB2' HG22 ' A' ' 78' ' ' ILE . 19.1 mt -121.09 105.73 10.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.407 ' HB ' ' HB2' ' A' ' 20' ' ' HIS . 1.6 m -97.54 106.72 19.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.372 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.626 ' OD1' HD22 ' A' ' 19' ' ' LEU . 9.6 t-20 -69.78 111.33 5.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.607 HG11 ' NE2' ' A' ' 20' ' ' HIS . 11.3 m -101.69 34.09 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.251 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.496 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 1.2 p -120.72 163.59 17.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.127 . . . . 0.0 110.389 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -97.06 23.06 7.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.521 ' O ' HG23 ' A' ' 51' ' ' VAL . 8.4 m-80 -154.06 143.2 21.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 24.1 mt -43.73 148.66 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.348 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.831 HG22 ' HA ' ' A' ' 102' ' ' GLU . 54.2 t -138.96 122.47 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.839 ' HB1' ' CD1' ' A' ' 114' ' ' LEU . . . -80.64 138.57 36.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.85 ' CE2' HD13 ' A' ' 78' ' ' ILE . 18.0 p90 -131.46 147.72 52.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.16 . . . . 0.0 111.006 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.498 ' HD2' ' CD1' ' A' ' 118' ' ' TRP . 29.7 mttt -139.3 155.68 47.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 1.146 HG21 HG21 ' A' ' 80' ' ' ILE . 49.8 t -125.34 116.9 48.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.661 ' HB2' HD12 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -126.05 172.48 9.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 110.3 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.414 HG23 ' H ' ' A' ' 59' ' ' ALA . 4.5 t -164.36 167.9 19.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.418 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.41 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 9.2 p -87.83 24.21 1.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.383 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.486 ' HB1' ' HE3' ' A' ' 62' ' ' LYS . . . 179.84 71.95 0.16 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 0.54 8.73 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.445 1.76 . . . . 0.0 110.999 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -102.12 48.05 0.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.336 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.529 ' HD2' ' CE2' ' A' ' 63' ' ' TYR . 0.3 OUTLIER -168.57 -40.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.352 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.529 ' CE2' ' HD2' ' A' ' 62' ' ' LYS . 63.3 m-85 -101.75 134.54 44.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.993 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.21 92.62 6.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.462 ' O ' ' CG2' ' A' ' 65' ' ' VAL . 0.7 OUTLIER -97.9 118.4 44.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.369 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.519 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.6 OUTLIER -157.72 133.8 6.12 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.255 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.681 ' HD2' HD13 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -74.99 146.78 87.62 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 120.981 -2.508 . . . . 0.0 111.024 -0.044 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.461 ' HB3' ' O ' ' A' ' 65' ' ' VAL . 8.1 p -112.95 17.86 18.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.006 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.407 ' O ' ' HB2' ' A' ' 70' ' ' SER . 16.3 p-10 -171.18 107.64 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.613 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 46.4 t 177.82 -166.67 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.005 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.493 ' HB2' ' CG2' ' A' ' 109' ' ' THR . 0.8 OUTLIER -139.14 160.73 39.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.976 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.567 ' HB3' HD21 ' A' ' 19' ' ' LEU . 41.4 t -122.76 116.16 23.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 108.308 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -49.51 163.16 0.39 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 127.78 10.92 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.482 1.78 . . . . 0.0 110.941 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.48 35.28 33.37 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.126 . . . . 0.0 110.974 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -137.94 -178.89 5.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 0.768 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.0 p -142.85 134.06 25.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.004 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.85 HD13 ' CE2' ' A' ' 53' ' ' PHE . 1.0 OUTLIER -104.97 172.79 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.456 ' O ' HD13 ' A' ' 80' ' ' ILE . 3.2 m-20 -130.52 124.02 30.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 1.146 HG21 HG21 ' A' ' 55' ' ' VAL . 4.2 mm -120.19 103.45 14.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.4 mp -77.1 147.82 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.614 HG11 ' CZ ' ' A' ' 96' ' ' PHE . 96.9 t -140.68 97.48 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.09 124.51 34.49 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.026 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.508 ' HG3' ' CD1' ' A' ' 29' ' ' PHE . 18.4 Cg_endo -74.99 160.65 39.92 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.491 1.785 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.471 ' HB2' HD11 ' A' ' 88' ' ' LEU . 1.6 t-80 -51.8 -177.38 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.623 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.16 -59.78 0.93 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.507 1.129 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -55.65 -66.35 2.9 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.575 ' C ' HD12 ' A' ' 88' ' ' LEU . 1.2 pp -68.35 -178.33 1.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.578 0.81 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.439 ' OG1' ' N ' ' A' ' 90' ' ' VAL . 0.0 OUTLIER -140.09 171.01 14.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.428 1.08 . . . . 0.0 110.444 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.932 HG21 ' CE2' ' A' ' 29' ' ' PHE . 7.6 p -91.1 126.81 43.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.4 m -129.47 -173.78 3.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.993 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.529 ' HB2' ' OG1' ' A' ' 135' ' ' THR . . . -93.01 40.38 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -115.97 -34.29 4.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.302 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -92.52 165.01 13.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -143.94 153.61 42.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.317 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.614 ' CZ ' HG11 ' A' ' 82' ' ' VAL . 27.4 m-85 -110.67 154.06 24.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.811 HD13 ' N ' ' A' ' 98' ' ' ILE . 1.9 tm? -133.6 146.75 51.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.811 ' N ' HD13 ' A' ' 97' ' ' LEU . 3.5 mt -137.36 137.54 45.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.564 ' HE2' ' CE2' ' A' ' 118' ' ' TRP . 18.7 mtp -110.39 153.2 25.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 110.975 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 52' ' ' ALA . . . -161.81 117.59 2.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.572 ' HB1' HG11 ' A' ' 121' ' ' VAL . . . -136.33 135.28 38.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.831 ' HA ' HG22 ' A' ' 51' ' ' VAL . 1.2 tt0 -69.96 119.99 15.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.752 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 13.2 mtp -89.88 172.0 9.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -68.26 -141.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 110.247 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -97.52 -32.1 11.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.294 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.74 136.5 45.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.993 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.461 ' HB2' ' HE2' ' A' ' 103' ' ' MET . 1.0 OUTLIER -173.91 127.75 0.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.001 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -86.73 -4.63 82.45 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.523 1.139 . . . . 0.0 111.021 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.778 ' HA ' HD21 ' A' ' 114' ' ' LEU . 68.0 p 43.01 36.52 0.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 0.783 . . . . 0.0 110.402 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.966 ' O ' HD23 ' A' ' 114' ' ' LEU . . . -88.72 -163.09 39.04 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.474 1.109 . . . . 0.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -47.62 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.495 1.787 . . . . 0.0 111.054 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.49 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -73.01 -60.54 2.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.49 ' C ' ' O ' ' A' ' 112' ' ' ALA . 27.5 mp0 -31.78 -52.42 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.329 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.966 HD23 ' O ' ' A' ' 110' ' ' GLY . 3.7 mm? -62.41 -69.65 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 114' ' ' LEU . 0.1 OUTLIER -39.02 -30.23 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.012 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 114' ' ' LEU . 3.4 mm100 -80.84 -53.68 6.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.988 ' O ' HG23 ' A' ' 121' ' ' VAL . 72.7 t80 -53.97 -42.07 68.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . 0.945 ' CZ3' HG13 ' A' ' 126' ' ' VAL . 24.5 m95 -67.16 -16.54 64.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 107.967 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.445 ' O ' ' HG2' ' A' ' 119' ' ' LYS . 0.0 OUTLIER -89.41 -15.73 32.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -97.82 -40.84 8.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.988 HG23 ' O ' ' A' ' 117' ' ' PHE . 2.3 t -71.09 129.26 89.56 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.927 ' O ' HG23 ' A' ' 126' ' ' VAL . 18.4 Cg_endo -74.97 170.33 20.66 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.471 1.774 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.19 2.51 15.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.243 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -101.01 -22.54 14.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.509 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 23.6 mmtt -102.25 -31.67 10.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.329 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.945 HG13 ' CZ3' ' A' ' 118' ' ' TRP . 47.1 t -70.44 109.67 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . 0.424 ' SD ' ' HD2' ' A' ' 17' ' ' PRO . 36.4 ttp -79.88 117.37 20.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 110.986 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.732 ' HB3' HD21 ' A' ' 97' ' ' LEU . 15.1 mt-10 -106.04 124.28 49.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . 0.733 ' CE1' ' CG ' ' A' ' 14' ' ' PHE . 35.3 t60 -118.35 118.33 31.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.603 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.689 ' HD2' HD23 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -95.52 130.27 42.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.32 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.622 HD12 ' CD1' ' A' ' 98' ' ' ILE . 1.3 mt -101.74 166.6 10.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.507 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -131.81 158.13 42.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.31 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 63.5 m -84.39 145.1 28.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 108.257 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.662 ' CD2' ' CE2' ' A' ' 28' ' ' TYR . 27.1 t-80 -84.56 49.87 1.78 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.657 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.529 ' OG1' ' HB2' ' A' ' 92' ' ' ALA . 7.4 p -74.22 -176.15 2.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.388 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.627 ' O ' HG13 ' A' ' 136' ' ' VAL . 7.6 p -174.29 59.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -147.02 74.12 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.32 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.23 156.77 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.107 . . . . 0.0 109.981 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 5.8 t -174.69 112.35 0.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.969 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.23 121.85 2.93 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.266 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -177.73 3.68 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.512 1.796 . . . . 0.0 110.991 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -150.35 151.89 33.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.16 137.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 0.0 109.999 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -178.63 111.84 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -178.57 85.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.997 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -174.94 175.57 2.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.77 -57.13 3.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.007 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 44.64 95.12 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.122 . . . . 0.0 111.003 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 60.34 5.39 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.503 1.791 . . . . 0.0 111.03 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 16.1 m -122.94 147.72 46.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.994 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -102.7 -77.65 0.56 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.039 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.538 1.149 . . . . 0.0 110.983 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.1 m -107.74 86.16 2.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 0.737 . . . . 0.0 109.977 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.3 t -103.09 123.99 47.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 110.025 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.1 -153.66 6.03 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.462 1.101 . . . . 0.0 111.054 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.5 t -177.25 -54.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 110.006 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.2 m 61.04 159.94 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.001 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.78 -166.07 12.99 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.57 119.82 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 0.782 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.95 154.05 47.4 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.352 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 109.39 2.92 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.464 1.771 . . . . 0.0 110.968 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.77 158.35 32.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.9 m -139.57 140.34 37.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.017 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.522 HG22 ' HE3' ' A' ' 15' ' ' LYS . 1.2 m -129.55 139.37 51.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.747 ' CG ' ' CE1' ' A' ' 129' ' ' HIS . 56.2 t80 -75.45 95.5 3.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.526 ' HD3' ' CE1' ' A' ' 20' ' ' HIS . 0.2 OUTLIER -65.11 115.36 5.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.247 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.48 ' H ' ' CD2' ' A' ' 20' ' ' HIS . . . -97.55 165.33 22.37 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.429 1.081 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.431 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.3 Cg_endo -75.0 -16.17 20.35 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.539 1.81 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.56 ' HA ' HG23 ' A' ' 47' ' ' THR . 3.4 mt -125.25 -73.07 0.64 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.501 ' HB2' ' HB1' ' A' ' 100' ' ' ALA . 0.0 OUTLIER -110.44 134.44 52.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.347 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.76 ' CE1' HG11 ' A' ' 46' ' ' VAL . 25.4 m170 -82.72 154.99 24.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 109.591 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.481 HD12 ' CG2' ' A' ' 98' ' ' ILE . 1.6 mm -124.4 140.1 48.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.515 ' O ' HG23 ' A' ' 41' ' ' ILE . 0.3 OUTLIER -150.99 130.27 6.49 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.048 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.469 ' C ' ' HA ' ' A' ' 22' ' ' SER . 18.5 Cg_endo -75.0 178.69 33.58 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 120.979 -2.509 . . . . 0.0 111.029 0.006 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.31 -99.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.432 ' O ' ' CZ ' ' A' ' 132' ' ' ARG . 3.9 pm0 -128.52 61.21 1.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.282 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.406 ' O ' ' HG2' ' A' ' 23' ' ' PRO . 0.0 OUTLIER -162.65 103.81 1.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 110.308 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.884 ' HG ' HD22 ' A' ' 131' ' ' LEU . 27.8 mt -101.01 141.07 34.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.551 ' CE1' ' HB3' ' A' ' 134' ' ' HIS . 1.4 m-85 -130.95 91.97 3.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -72.71 86.25 1.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 60.89 138.02 0.01 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.501 1.126 . . . . 0.0 111.026 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 33' ' ' GLU . 7.3 m -116.19 113.92 23.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 0.777 . . . . 0.0 110.002 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.1 mt 66.07 -74.02 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 31' ' ' SER . 1.8 mm-40 -165.01 93.57 0.62 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.45 22.32 7.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 110.029 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 61.37 137.27 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.53 1.144 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 43.66 90.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 0.772 . . . . 0.0 110.283 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.5 mttm -76.59 59.28 1.49 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.42 144.56 40.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.572 ' OG1' HD22 ' A' ' 27' ' ' LEU . 6.6 t -107.13 129.17 54.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.38 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.629 HD12 ' N ' ' A' ' 41' ' ' ILE . 2.6 tp -111.51 119.15 37.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.798 HD13 HD11 ' A' ' 98' ' ' ILE . 36.7 mt -90.78 146.79 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 t -116.93 127.64 74.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.704 ' HB2' HG22 ' A' ' 78' ' ' ILE . 11.6 mt -112.97 106.59 14.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.402 ' HB ' ' HB2' ' A' ' 20' ' ' HIS . 2.8 m -98.16 108.82 21.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 110.394 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -76.3 113.28 13.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.76 HG11 ' CE1' ' A' ' 20' ' ' HIS . 12.7 m -86.95 -39.38 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.56 HG23 ' HA ' ' A' ' 18' ' ' LEU . 1.6 p -52.33 160.25 0.84 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.384 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt -97.07 29.03 3.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.26 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.593 ' O ' HG23 ' A' ' 51' ' ' VAL . 7.1 m-80 -151.61 137.13 17.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 49' ' ' ASN . 17.4 mt -40.14 142.99 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.872 HG22 ' HA ' ' A' ' 102' ' ' GLU . 41.1 t -135.66 109.04 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.843 ' HB2' ' SD ' ' A' ' 103' ' ' MET . . . -69.85 139.36 53.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.623 ' CE2' HG21 ' A' ' 78' ' ' ILE . 16.8 p90 -129.7 162.24 28.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.553 ' HE3' ' CD1' ' A' ' 118' ' ' TRP . 12.0 mttm -146.05 157.18 43.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 1.076 HG21 HG21 ' A' ' 80' ' ' ILE . 57.8 t -129.02 107.05 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 0.0 109.324 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.469 ' O ' ' N ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -118.65 142.06 48.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 110.321 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.44 168.93 18.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.413 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 31.8 p -78.67 2.62 18.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.401 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.554 ' HB1' ' HD3' ' A' ' 62' ' ' LYS . . . -154.29 75.2 5.95 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.426 1.079 . . . . 0.0 109.343 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -3.93 14.64 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.535 1.808 . . . . 0.0 110.99 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -108.3 26.72 10.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 110.277 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.563 ' HE3' HD22 ' A' ' 88' ' ' LEU . 14.6 mtpt -138.82 -46.69 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -101.51 134.48 44.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.07 102.59 14.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 110.355 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.475 ' CG2' ' HB3' ' A' ' 68' ' ' SER . 0.6 OUTLIER -104.32 119.21 52.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.453 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.0 OUTLIER -153.4 128.75 4.99 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.722 ' O ' HG23 ' A' ' 80' ' ' ILE . 18.3 Cg_endo -74.99 152.66 98.49 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 121.023 -2.49 . . . . 0.0 111.024 -0.035 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.475 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 42.9 p -112.36 -14.22 13.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.022 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -145.91 87.53 1.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.344 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.583 ' HB2' ' CZ ' ' A' ' 53' ' ' PHE . 2.3 m -155.86 -164.94 1.83 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 0.0 110.012 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.472 ' HG ' ' C ' ' A' ' 51' ' ' VAL . 2.8 t -140.26 171.69 13.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.958 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.479 ' HB3' HD21 ' A' ' 19' ' ' LEU . 39.1 t -134.84 115.99 14.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 108.31 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.87 162.66 0.36 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 133.45 16.65 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.518 1.799 . . . . 0.0 111.033 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.09 8.91 87.21 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -118.67 -178.74 3.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 0.748 . . . . 0.0 109.259 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.474 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 2.8 p -146.11 137.29 24.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.986 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.704 HG22 ' HB2' ' A' ' 43' ' ' LEU . 2.1 tt -105.19 166.41 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.628 ' HB2' HD11 ' A' ' 40' ' ' LEU . 2.7 p30 -121.18 117.18 26.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 1.076 HG21 HG21 ' A' ' 55' ' ' VAL . 6.2 mm -108.19 95.15 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.412 ' N ' HD13 ' A' ' 40' ' ' LEU . 3.3 mp -71.62 144.87 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.693 HG11 ' CZ ' ' A' ' 96' ' ' PHE . 55.6 t -139.6 97.24 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.35 136.64 24.08 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.97 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 173.9 13.72 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.519 1.799 . . . . 0.0 110.948 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -64.67 -37.18 86.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.619 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 126.18 -75.4 0.41 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.123 . . . . 0.0 111.033 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -38.18 -66.3 0.62 Allowed Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.563 HD22 ' HE3' ' A' ' 62' ' ' LYS . 3.5 pp -52.41 -175.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 0.754 . . . . 0.0 109.334 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.3 t -136.16 168.41 19.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.376 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.5 HG12 HG22 ' A' ' 135' ' ' THR . 75.0 t -92.4 129.08 43.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.447 ' HA ' HG21 ' A' ' 135' ' ' THR . 1.7 t -134.23 174.66 10.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.024 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -92.51 37.3 1.0 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -112.22 -31.63 6.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -85.69 150.0 24.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 96' ' ' PHE . 0.0 OUTLIER -134.18 143.58 47.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.251 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.693 ' CZ ' HG11 ' A' ' 82' ' ' VAL . 10.7 m-85 -107.71 154.12 21.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 111.043 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 56' ' ' ARG . 3.2 tm? -139.65 126.03 20.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.798 HD11 HD13 ' A' ' 41' ' ' ILE . 3.0 mt -117.4 123.42 71.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.716 ' HE3' ' CZ3' ' A' ' 118' ' ' TRP . 24.6 mtm -102.83 153.7 19.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 111.017 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.615 ' C ' HG23 ' A' ' 126' ' ' VAL . . . -155.56 118.59 4.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.351 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.785 ' HB2' ' HB ' ' A' ' 126' ' ' VAL . . . -129.16 135.89 49.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.872 ' HA ' HG22 ' A' ' 51' ' ' VAL . 1.3 tt0 -70.34 119.72 14.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 110.247 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.843 ' SD ' ' HB2' ' A' ' 52' ' ' ALA . 4.3 mtp -86.71 171.11 11.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -79.79 -143.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.74 -166.94 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.2 m -53.48 113.6 1.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.987 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.1 m -134.33 142.26 47.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.039 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.43 ' N ' ' OE1' ' A' ' 113' ' ' GLU . . . -58.45 -171.61 0.31 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.501 1.125 . . . . 0.0 110.997 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.718 ' HA ' HD21 ' A' ' 114' ' ' LEU . 36.8 p -148.27 33.32 0.81 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.477 0.751 . . . . 0.0 110.381 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.898 ' O ' HD23 ' A' ' 114' ' ' LEU . . . -78.11 -169.93 35.26 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.533 1.146 . . . . 0.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -20.09 17.19 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.567 1.825 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.477 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -92.66 -65.15 1.02 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.477 ' C ' ' O ' ' A' ' 112' ' ' ALA . 2.1 mm-40 -33.09 -43.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.898 HD23 ' O ' ' A' ' 110' ' ' GLY . 3.8 mm? -70.58 -69.89 0.33 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 114' ' ' LEU . 1.8 t -34.75 -37.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 114' ' ' LEU . 1.0 OUTLIER -70.99 -56.98 5.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.243 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.84 ' O ' HG12 ' A' ' 121' ' ' VAL . 70.6 t80 -57.89 -26.35 62.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . 0.813 ' CZ3' HG21 ' A' ' 126' ' ' VAL . 89.9 m95 -81.78 -16.07 52.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 107.991 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.443 ' HD3' ' CG ' ' A' ' 120' ' ' GLU . 0.0 OUTLIER -88.88 -20.67 24.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.443 ' CG ' ' HD3' ' A' ' 119' ' ' LYS . 4.8 mt-10 -99.88 -47.26 5.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.84 HG12 ' O ' ' A' ' 117' ' ' PHE . 7.3 p -69.64 125.38 91.94 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.57 ' O ' HG12 ' A' ' 126' ' ' VAL . 18.3 Cg_endo -75.01 177.11 9.03 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.535 1.808 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.455 ' C ' ' CD ' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -88.49 0.26 56.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.342 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -103.45 -5.23 23.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.548 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 35.4 mmtt -107.46 -29.62 9.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.813 HG21 ' CZ3' ' A' ' 118' ' ' TRP . 6.0 p -89.19 144.3 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . 0.473 ' O ' ' HA ' ' A' ' 99' ' ' MET . 43.0 ttp -85.64 139.67 31.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -118.02 126.36 52.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.323 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . 0.747 ' CE1' ' CG ' ' A' ' 14' ' ' PHE . 62.7 t60 -135.26 118.43 16.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.595 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.417 ' HA ' ' O ' ' A' ' 96' ' ' PHE . 0.1 OUTLIER -93.58 131.87 38.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.884 HD22 ' HG ' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -108.81 144.05 37.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.26 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.432 ' CZ ' ' O ' ' A' ' 25' ' ' GLU . 8.0 ptt-85 -124.64 148.32 48.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.335 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' CYS . . . . . 0.473 ' SG ' HG23 ' A' ' 135' ' ' THR . 15.0 p -91.87 146.17 23.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 108.32 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.551 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -109.45 66.69 0.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.629 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.5 HG22 HG12 ' A' ' 90' ' ' VAL . 47.5 p -52.2 143.68 14.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.425 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 7.5 p -74.36 137.85 22.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 11.4 mp0 -101.29 168.74 9.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.269 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 77.15 -57.19 0.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.948 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 88.9 p 54.13 -173.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.974 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -104.77 107.93 59.64 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -178.12 3.95 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.495 1.787 . . . . 0.0 110.986 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -169.75 141.95 2.39 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 109.349 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 3.2 t -150.55 -59.79 0.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.02 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 2.0 tt 60.34 91.34 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -177.23 143.25 0.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 1.1 mp -130.41 139.73 50.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 97.6 p -163.08 104.57 1.0 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.963 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 56.96 -178.43 0.79 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.484 1.115 . . . . 0.0 111.041 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -41.58 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.505 1.792 . . . . 0.0 110.98 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.0 87.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.017 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.54 90.02 4.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.982 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 179.963 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -158.59 141.37 14.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 0.76 . . . . 0.0 110.002 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.13 168.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.039 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -78.63 167.33 52.89 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.542 1.151 . . . . 0.0 110.957 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 4' ' ' GLY . 33.2 m -39.62 109.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 109.988 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.94 -52.42 17.29 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 110.015 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.21 178.67 20.76 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.479 1.112 . . . . 0.0 110.957 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.02 178.0 6.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.19 156.56 10.47 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 143.72 29.56 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.555 1.819 . . . . 0.0 111.038 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -135.34 153.41 51.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.8 m -152.7 151.95 31.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.98 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.739 HG13 ' O ' ' A' ' 21' ' ' ILE . 48.1 t -132.77 123.62 49.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.722 ' CD1' ' CE1' ' A' ' 129' ' ' HIS . 77.0 t80 -73.64 95.57 2.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.589 ' HD3' ' CE1' ' A' ' 20' ' ' HIS . 21.0 mmtp -63.34 110.97 2.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.506 ' H ' ' CD2' ' A' ' 20' ' ' HIS . . . -95.49 157.31 21.84 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.465 1.103 . . . . 0.0 110.955 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.404 ' HD2' ' SD ' ' A' ' 127' ' ' MET . 18.3 Cg_endo -75.01 -15.28 20.8 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.784 . . . . 0.0 111.018 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.505 ' HA ' ' CG2' ' A' ' 47' ' ' THR . 6.7 mt -124.66 -72.28 0.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.581 HD23 ' CG1' ' A' ' 51' ' ' VAL . 0.0 OUTLIER -113.21 134.04 54.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.326 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.589 ' CE1' ' HD3' ' A' ' 15' ' ' LYS . 14.5 m170 -81.23 157.35 25.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.604 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.739 ' O ' HG13 ' A' ' 13' ' ' VAL . 1.7 mm -124.62 139.65 50.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.457 ' O ' HG23 ' A' ' 41' ' ' ILE . 5.3 t -152.25 126.66 4.54 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.006 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.434 ' C ' ' HA ' ' A' ' 22' ' ' SER . 18.4 Cg_endo -74.94 -177.32 20.13 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.02 -2.492 . . . . 0.0 111.025 -0.051 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.44 -98.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -126.69 58.1 1.42 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -163.16 103.69 0.98 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 1.012 HD22 HD22 ' A' ' 131' ' ' LEU . 0.1 OUTLIER -86.11 144.43 27.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -132.09 92.17 3.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 111.042 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.572 ' CE2' HG22 ' A' ' 39' ' ' THR . 95.7 m-85 -82.96 98.22 9.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 111.026 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 60.39 125.71 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.5 1.125 . . . . 0.0 111.042 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 33' ' ' GLU . 9.6 t -118.75 132.81 56.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 0.77 . . . . 0.0 110.019 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 18.0 mm 66.38 -74.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -174.53 94.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 110.335 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.6 m -128.04 31.13 5.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.423 1.077 . . . . 0.0 110.056 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 60.16 -113.57 5.54 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.469 1.106 . . . . 0.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -46.18 115.64 1.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 0.751 . . . . 0.0 110.311 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.7 mtmm -91.6 53.43 2.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.29 142.85 44.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.69 ' OG1' HD12 ' A' ' 27' ' ' LEU . 9.4 t -105.4 144.01 32.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.392 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.651 HD12 ' N ' ' A' ' 41' ' ' ILE . 2.5 tp -121.4 120.61 35.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.651 ' N ' HD12 ' A' ' 40' ' ' LEU . 32.8 mt -89.25 153.44 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 t -124.56 129.52 73.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.75 ' HB2' HG22 ' A' ' 78' ' ' ILE . 10.4 mt -116.32 103.89 10.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.406 ' HB ' ' HB2' ' A' ' 20' ' ' HIS . 1.0 OUTLIER -91.67 110.14 21.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 0.0 110.373 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 72' ' ' CYS . 18.3 t-20 -72.77 119.41 16.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.48 HG11 ' NE2' ' A' ' 20' ' ' HIS . 8.7 m -114.51 39.43 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.505 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 1.8 p -127.61 158.73 36.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.178 . . . . 0.0 110.388 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.66 27.52 2.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.504 ' O ' HG23 ' A' ' 51' ' ' VAL . 8.2 m-80 -159.35 135.48 8.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.428 ' C ' ' O ' ' A' ' 49' ' ' ASN . 13.0 mt -37.68 140.99 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.581 ' CG1' HD23 ' A' ' 19' ' ' LEU . 71.0 t -127.3 119.52 52.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.803 ' HB1' ' CD1' ' A' ' 114' ' ' LEU . . . -84.54 131.0 34.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.835 ' HE2' HD13 ' A' ' 78' ' ' ILE . 10.3 p90 -120.61 159.74 24.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.512 ' HD2' ' CE2' ' A' ' 118' ' ' TRP . 4.2 mttm -147.2 143.2 28.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 1.089 HG21 HG21 ' A' ' 80' ' ' ILE . 95.7 t -114.63 117.0 54.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -122.31 168.69 11.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.401 ' OG1' ' N ' ' A' ' 58' ' ' THR . 1.7 t -168.2 172.02 8.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.391 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.401 ' N ' ' OG1' ' A' ' 57' ' ' THR . 10.9 p -84.44 8.82 15.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.376 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.4 ' HB1' ' HB2' ' A' ' 62' ' ' LYS . . . -154.21 76.28 5.77 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.258 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -1.6 11.44 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.481 1.779 . . . . 0.0 111.041 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -119.61 30.16 7.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.34 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.47 ' O ' ' HA ' ' A' ' 84' ' ' PRO . 18.3 mttt -137.28 -46.37 0.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -102.1 127.82 48.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 111.033 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.503 ' CB ' ' O ' ' A' ' 83' ' ' SER . 5.0 ttt180 -85.87 93.65 8.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 110.321 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.5 ' O ' ' CG2' ' A' ' 65' ' ' VAL . 0.7 OUTLIER -99.05 116.09 41.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.446 ' HA ' ' C ' ' A' ' 67' ' ' PRO . 0.2 OUTLIER -152.78 127.85 4.82 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 109.243 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.838 ' O ' HG23 ' A' ' 80' ' ' ILE . 18.2 Cg_endo -74.99 154.39 99.67 Favored 'Cis proline' 0 C--N 1.361 1.19 0 C-N-CA 121.023 -2.491 . . . . 0.0 110.976 -0.041 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.475 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 39.6 p -112.33 -18.69 12.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.002 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 39.4 p-10 -142.07 90.64 2.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.453 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -156.86 -167.85 2.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.005 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.564 ' OG ' HG22 ' A' ' 109' ' ' THR . 0.7 OUTLIER -138.84 172.62 12.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 110.02 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.457 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 44.3 t -134.87 120.6 19.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 108.313 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.6 160.17 0.62 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 119.29 5.59 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.534 1.808 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.92 22.31 23.52 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.448 1.092 . . . . 0.0 111.043 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -137.41 -178.38 5.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 0.785 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.485 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 3.2 p -142.6 141.15 31.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.019 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.835 HD13 ' HE2' ' A' ' 53' ' ' PHE . 1.3 tt -104.53 162.44 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.365 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.604 ' HB3' HD11 ' A' ' 40' ' ' LEU . 12.9 m-20 -118.3 117.65 29.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 1.089 HG21 HG21 ' A' ' 55' ' ' VAL . 6.0 mm -110.09 97.17 5.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.405 ' N ' HD13 ' A' ' 40' ' ' LEU . 3.2 mp -72.44 144.59 12.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.569 HG11 ' CZ ' ' A' ' 96' ' ' PHE . 97.0 t -135.73 97.92 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.503 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -126.06 119.94 23.86 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.032 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.47 ' HA ' ' O ' ' A' ' 62' ' ' LYS . 18.5 Cg_endo -74.94 173.82 13.83 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.492 1.785 . . . . 0.0 111.038 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.721 ' HB2' HD21 ' A' ' 88' ' ' LEU . 1.3 m-70 -49.61 133.99 20.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.595 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -65.11 87.49 0.08 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.451 1.094 . . . . 0.0 111.021 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 156.44 -72.29 0.25 Allowed Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.721 HD21 ' HB2' ' A' ' 85' ' ' HIS . 4.0 pp -51.9 -177.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 0.745 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 69.2 p -106.3 -166.77 1.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 110.357 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.403 ' O ' ' O ' ' A' ' 91' ' ' SER . 1.0 OUTLIER -112.76 -3.88 10.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 90' ' ' VAL . 3.7 m 41.32 -162.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.009 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.414 ' HB2' HG22 ' A' ' 135' ' ' THR . . . -150.64 24.71 0.77 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -106.1 -33.69 7.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.327 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.17 171.47 10.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.137 . . . . 0.0 109.339 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -144.51 160.83 40.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.569 ' CZ ' HG11 ' A' ' 82' ' ' VAL . 14.5 m-85 -120.67 151.81 39.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.107 . . . . 0.0 111.024 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.46 HD12 ' H ' ' A' ' 98' ' ' ILE . 25.2 tp -134.84 136.71 42.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.787 ' CD1' HD12 ' A' ' 131' ' ' LEU . 3.2 mt -127.88 121.86 57.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.742 ' HE3' ' CZ3' ' A' ' 118' ' ' TRP . 28.7 mtm -101.71 157.9 16.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.56 ' C ' HG23 ' A' ' 126' ' ' VAL . . . -161.23 119.19 2.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.794 ' HB2' ' HB ' ' A' ' 126' ' ' VAL . . . -128.09 141.99 51.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.412 ' HA ' HG22 ' A' ' 51' ' ' VAL . 1.5 tt0 -69.9 112.6 6.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.583 ' HG2' ' CZ ' ' A' ' 117' ' ' PHE . 0.0 OUTLIER -87.02 172.32 10.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.981 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' A' ' 103' ' ' MET . 2.0 mt-10 -60.59 -143.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 110.302 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -97.09 -78.92 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.72 107.88 20.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 109.981 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 27.0 m -154.64 130.33 9.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.968 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.44 152.75 44.28 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.537 1.148 . . . . 0.0 110.984 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.635 ' HA ' ' CD2' ' A' ' 114' ' ' LEU . 38.9 p -103.65 19.36 20.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 0.752 . . . . 0.0 110.386 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.736 ' O ' HD23 ' A' ' 114' ' ' LEU . . . -56.09 -179.77 0.42 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -16.11 20.35 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.473 1.775 . . . . 0.0 110.969 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.456 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -92.77 -64.8 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 112' ' ' ALA . 17.0 mp0 -34.09 -53.73 0.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.803 ' CD1' ' HB1' ' A' ' 52' ' ' ALA . 4.6 mm? -55.17 -69.18 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.458 ' C ' ' O ' ' A' ' 114' ' ' LEU . 0.1 OUTLIER -34.06 -44.27 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 110.013 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.408 ' O ' ' HD2' ' A' ' 119' ' ' LYS . 8.2 mm-40 -61.74 -59.63 4.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.154 . . . . 0.0 110.254 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.858 ' O ' HG12 ' A' ' 121' ' ' VAL . 51.3 t80 -56.05 -31.53 63.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . 0.856 ' CZ3' HG21 ' A' ' 126' ' ' VAL . 90.6 m95 -76.39 -15.89 59.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 107.997 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.434 ' HD3' ' CG ' ' A' ' 120' ' ' GLU . 0.2 OUTLIER -90.77 -18.18 25.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.434 ' CG ' ' HD3' ' A' ' 119' ' ' LYS . 4.2 mt-10 -103.95 -46.32 4.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.858 HG12 ' O ' ' A' ' 117' ' ' PHE . 8.9 p -69.59 121.94 84.07 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.59 ' O ' HG12 ' A' ' 126' ' ' VAL . 18.2 Cg_endo -75.08 165.9 30.24 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.464 1.77 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.48 ' HA ' ' CG1' ' A' ' 126' ' ' VAL . 0.0 OUTLIER -76.99 0.92 19.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -102.44 -7.73 21.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.534 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 31.1 mmtt -107.73 -25.68 11.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.856 HG21 ' CZ3' ' A' ' 118' ' ' TRP . 4.8 p -92.87 143.44 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . 0.433 ' HG2' ' N ' ' A' ' 128' ' ' GLU . 50.7 ttp -82.26 149.1 28.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.991 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.433 ' N ' ' HG2' ' A' ' 127' ' ' MET . 63.0 mt-10 -128.84 126.13 39.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 110.315 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . 0.722 ' CE1' ' CD1' ' A' ' 14' ' ' PHE . 65.8 t60 -135.99 122.3 20.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.587 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.94 139.62 30.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.325 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 1.012 HD22 HD22 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -117.09 150.64 38.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.263 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.5 159.96 38.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.309 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 9.2 t -87.25 158.29 19.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 108.304 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -120.62 71.14 0.91 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.596 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.414 HG22 ' HB2' ' A' ' 92' ' ' ALA . 8.5 t -131.65 -167.24 1.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.408 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 7.6 p -109.35 131.53 59.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.335 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.67 146.18 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 110.289 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 2.9 t -39.71 148.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.966 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 13.8 t -71.16 137.52 48.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.97 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 70.26 120.57 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -36.45 2.54 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.531 1.806 . . . . 0.0 110.963 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 6.2 t30 58.93 111.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 37.2 m -54.82 132.73 46.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.021 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.24 146.12 52.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -41.66 108.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 7.5 tp -161.32 -55.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.414 1.071 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.2 m 56.87 81.4 0.13 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.109 . . . . 0.0 109.98 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 173.81 -175.47 46.4 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.496 1.123 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 128.28 11.41 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.52 1.8 . . . . 0.0 111.008 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 1.8 t -166.46 -58.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 110.008 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 1.6 t -51.53 138.5 22.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.989 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 179.98 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m 62.08 164.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 0.755 . . . . 0.0 110.005 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.6 t -171.86 154.82 3.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 110.002 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.04 131.5 1.32 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 t 66.61 164.34 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 0.78 . . . . 0.0 110.017 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 t -174.19 167.72 4.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.972 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.66 -170.2 13.33 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.459 1.099 . . . . 0.0 110.983 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -149.32 157.57 43.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 0.753 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.418 ' HE3' ' NE2' ' A' ' 134' ' ' HIS . 0.0 OUTLIER -143.84 151.78 53.9 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 175.74 10.83 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.465 1.771 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.69 142.04 30.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.5 m -146.3 155.25 42.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.002 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.443 HG22 ' CE ' ' A' ' 15' ' ' LYS . 0.9 OUTLIER -129.16 147.39 33.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.74 ' CG ' ' CE1' ' A' ' 129' ' ' HIS . 19.3 t80 -76.33 96.07 3.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.597 ' HG3' ' CE1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -51.39 94.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.462 ' H ' ' CD2' ' A' ' 20' ' ' HIS . . . -76.91 152.47 40.58 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.468 1.105 . . . . 0.0 110.961 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -18.23 18.93 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.479 1.779 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.424 ' HA ' ' CG2' ' A' ' 47' ' ' THR . 0.4 OUTLIER -131.91 -57.77 0.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.579 HD22 ' OD1' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -120.03 131.7 55.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.597 ' CE1' ' HG3' ' A' ' 15' ' ' LYS . 6.6 m170 -78.49 156.5 29.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.621 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.525 HD12 ' CG2' ' A' ' 98' ' ' ILE . 2.4 mm -126.84 121.9 59.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.464 ' O ' ' HA ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -131.05 125.76 21.29 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.994 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.42 ' HG2' ' O ' ' A' ' 26' ' ' GLU . 18.2 Cg_endo -75.06 -172.77 11.25 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.979 -2.509 . . . . 0.0 110.958 0.031 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.79 -68.35 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.86 ' HA ' HD23 ' A' ' 131' ' ' LEU . 2.6 pm0 -156.58 58.6 0.55 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.268 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.456 ' CG ' ' C ' ' A' ' 25' ' ' GLU . 2.1 mt-10 -155.03 103.35 2.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 1.043 HD22 HD22 ' A' ' 131' ' ' LEU . 0.2 OUTLIER -100.64 109.04 21.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -88.88 91.8 8.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.516 ' CE2' ' HB3' ' A' ' 27' ' ' LEU . 70.0 m-85 -85.75 98.75 10.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 111.052 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.01 83.39 1.36 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.496 1.122 . . . . 0.0 111.036 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 33' ' ' GLU . 13.8 m -104.68 128.63 52.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 0.782 . . . . 0.0 110.008 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.9 mp 65.62 -75.89 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 31' ' ' SER . 0.3 OUTLIER -61.57 158.39 15.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.313 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.1 m -100.54 -23.24 14.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.02 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -98.65 163.12 20.57 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.464 1.102 . . . . 0.0 111.047 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 49.42 81.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 0.762 . . . . 0.0 110.243 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -105.2 73.03 1.02 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.261 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.498 ' HG2' ' N ' ' A' ' 39' ' ' THR . 0.3 OUTLIER -124.34 141.88 51.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.317 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.569 ' OG1' HD12 ' A' ' 27' ' ' LEU . 1.3 t -110.65 160.96 16.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 110.379 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.689 HD12 ' N ' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -131.49 123.11 27.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.549 1.156 . . . . 0.0 109.285 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.689 ' N ' HD12 ' A' ' 40' ' ' LEU . 10.2 mt -91.16 156.8 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.7 t -129.24 126.18 63.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.839 ' HB2' HG22 ' A' ' 78' ' ' ILE . 23.5 mt -112.5 102.19 10.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.402 ' O ' ' HB2' ' A' ' 20' ' ' HIS . 0.9 OUTLIER -92.4 108.11 19.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 110.447 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.579 ' OD1' HD22 ' A' ' 19' ' ' LEU . 34.8 t30 -74.14 106.13 5.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.423 ' O ' HG23 ' A' ' 46' ' ' VAL . 10.8 m -97.92 37.83 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.424 ' CG2' ' HA ' ' A' ' 18' ' ' LEU . 1.1 p -124.12 163.82 20.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.425 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -97.81 24.92 6.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 109.269 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.549 ' O ' HG23 ' A' ' 51' ' ' VAL . 3.9 m-80 -157.02 137.06 12.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.554 HD12 ' HB2' ' A' ' 107' ' ' SER . 56.1 mt -40.09 148.28 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.851 HG22 ' HA ' ' A' ' 102' ' ' GLU . 53.7 t -138.4 118.23 14.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.681 ' HB3' ' HE2' ' A' ' 117' ' ' PHE . . . -80.88 132.73 35.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.936 ' CE2' HG21 ' A' ' 78' ' ' ILE . 6.9 p90 -122.64 154.92 37.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.423 ' HD2' ' CD2' ' A' ' 118' ' ' TRP . 6.7 mttm -139.23 147.21 41.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.087 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.985 HG21 HG21 ' A' ' 80' ' ' ILE . 96.3 t -113.82 107.08 22.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 97' ' ' LEU . 1.1 tmt_? -110.17 155.85 21.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.292 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.48 HG23 ' H ' ' A' ' 59' ' ' ALA . 5.0 t -158.58 169.74 23.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.385 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.4 p -87.73 21.58 2.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.413 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.48 ' H ' HG23 ' A' ' 57' ' ' THR . . . -168.23 75.23 0.87 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -5.27 16.59 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.521 1.8 . . . . 0.0 111.003 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -118.28 35.88 4.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.287 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.48 ' HB2' ' HB1' ' A' ' 59' ' ' ALA . 15.9 mtpt -145.69 -44.82 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.627 ' HE1' HG12 ' A' ' 90' ' ' VAL . 90.3 m-85 -101.21 134.02 44.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.81 101.7 14.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.256 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.5 ' O ' ' CG2' ' A' ' 65' ' ' VAL . 0.7 OUTLIER -112.09 115.27 49.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 67' ' ' PRO . 0.0 OUTLIER -149.87 125.62 5.01 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.822 ' HD2' HD13 ' A' ' 80' ' ' ILE . 18.4 Cg_endo -75.04 157.85 99.32 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 120.999 -2.501 . . . . 0.0 111.04 0.051 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.474 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 54.6 p -112.84 -10.85 13.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.988 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -157.4 85.24 0.92 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -141.56 -163.6 1.6 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 110.022 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.477 ' OG ' HG23 ' A' ' 50' ' ' ILE . 11.8 t -138.09 170.54 15.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.007 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 43.7 t -140.41 118.58 11.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 108.331 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.59 164.52 1.1 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 136.8 20.86 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.483 1.781 . . . . 0.0 111.005 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.01 23.52 71.59 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.48 1.113 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -138.64 -179.07 5.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.765 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.487 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 3.9 p -145.21 143.88 30.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.963 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.936 HG21 ' CE2' ' A' ' 53' ' ' PHE . 1.3 tt -105.15 165.6 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.433 ' HB2' HD11 ' A' ' 40' ' ' LEU . 15.0 p-10 -116.84 123.45 47.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.985 HG21 HG21 ' A' ' 55' ' ' VAL . 2.8 mm -120.52 106.26 18.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.162 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.456 HG23 ' CD ' ' A' ' 38' ' ' LYS . 2.6 mp -81.52 148.56 5.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.517 ' HB ' HG23 ' A' ' 39' ' ' THR . 80.1 t -140.12 96.95 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -114.9 118.72 40.32 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.025 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.469 ' HG3' ' CG1' ' A' ' 90' ' ' VAL . 18.3 Cg_endo -75.02 153.97 42.06 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.478 1.778 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.45 ' O ' ' N ' ' A' ' 88' ' ' LEU . 0.2 OUTLIER -54.17 108.36 0.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 109.622 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -39.34 -36.71 0.65 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -59.62 -45.75 95.13 Favored Glycine 0 CA--C 1.531 1.077 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 85' ' ' HIS . 2.9 pp -107.17 -170.72 1.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 0.797 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.453 ' OG1' ' N ' ' A' ' 90' ' ' VAL . 0.0 OUTLIER -137.37 171.65 14.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.385 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.627 HG12 ' HE1' ' A' ' 63' ' ' TYR . 5.9 m -76.15 -2.18 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.447 ' O ' ' HB2' ' A' ' 92' ' ' ALA . 0.9 OUTLIER 52.69 -89.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 109.979 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 90' ' ' VAL . . . 177.58 -40.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -68.07 -28.23 67.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.319 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.46 ' CB ' ' OH ' ' A' ' 63' ' ' TYR . 7.0 p-10 -41.35 144.86 0.29 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.105 . . . . 0.0 109.338 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 19.4 mmm-85 -140.42 144.99 36.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.511 ' CZ ' ' CG1' ' A' ' 82' ' ' VAL . 22.1 m-85 -119.65 154.19 34.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.603 HD12 ' H ' ' A' ' 98' ' ' ILE . 42.9 tp -133.57 148.06 51.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.344 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.888 ' CD1' HD12 ' A' ' 131' ' ' LEU . 3.1 mt -138.25 123.05 22.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.601 ' CE ' ' CZ3' ' A' ' 118' ' ' TRP . 7.6 mtp -99.1 154.98 17.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 111.05 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.456 ' HB1' ' HB2' ' A' ' 19' ' ' LEU . . . -159.48 116.62 2.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.261 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.794 ' HB2' HG23 ' A' ' 126' ' ' VAL . . . -130.68 133.17 45.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.851 ' HA ' HG22 ' A' ' 51' ' ' VAL . 1.2 tt0 -69.83 120.38 15.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 110.321 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.587 ' HG2' ' CE1' ' A' ' 117' ' ' PHE . 0.0 OUTLIER -89.17 172.65 8.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 111.041 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -72.71 -169.88 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 110.317 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -67.92 -42.08 81.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.32 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.47 115.66 27.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.975 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.554 ' HB2' HD12 ' A' ' 50' ' ' ILE . 22.2 m -136.48 106.94 6.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.039 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -72.07 -9.04 70.9 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 66.6 p 39.9 51.25 2.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 0.752 . . . . 0.0 110.419 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -117.35 -170.77 15.36 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.495 1.122 . . . . 0.0 111.029 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -21.13 16.27 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.481 1.779 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 113' ' ' GLU . . . -91.78 -69.31 0.75 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 109.263 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 112' ' ' ALA . 2.1 mm-40 -38.44 -46.24 1.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 118' ' ' TRP . 87.1 mt -62.8 -60.61 3.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.536 ' O ' ' CG ' ' A' ' 119' ' ' LYS . 0.4 OUTLIER -53.14 -26.95 18.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.041 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.521 ' HA ' ' CG ' ' A' ' 119' ' ' LYS . 1.1 tt0 -82.98 -35.19 26.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.685 ' O ' HG12 ' A' ' 121' ' ' VAL . 12.1 t80 -83.24 -22.9 32.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 111.006 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . 0.888 ' CZ3' HG21 ' A' ' 126' ' ' VAL . 62.4 m95 -87.6 -27.07 22.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 108.034 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.536 ' CG ' ' O ' ' A' ' 115' ' ' SER . 0.0 OUTLIER -82.99 -22.43 33.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -94.27 -42.91 8.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.318 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.685 HG12 ' O ' ' A' ' 117' ' ' PHE . 7.9 p -69.59 122.62 86.34 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.657 ' O ' HG12 ' A' ' 126' ' ' VAL . 18.3 Cg_endo -74.96 -173.08 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.518 1.799 . . . . 0.0 111.016 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.524 ' HA ' HG12 ' A' ' 126' ' ' VAL . 0.0 OUTLIER -93.22 0.83 57.21 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.444 ' N ' ' HD2' ' A' ' 123' ' ' ARG . 2.4 t-20 -102.32 -13.57 17.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.523 ' CG ' ' HG2' ' A' ' 122' ' ' PRO . 27.5 mmtt -102.7 -28.98 11.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.888 HG21 ' CZ3' ' A' ' 118' ' ' TRP . 14.8 p -92.19 137.96 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' MET . . . . . 0.411 ' C ' ' SD ' ' A' ' 127' ' ' MET . 19.1 tmm? -85.43 137.13 33.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 111.058 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.429 ' HB3' HD11 ' A' ' 97' ' ' LEU . 62.5 mt-10 -119.26 128.66 54.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . 0.74 ' CE1' ' CG ' ' A' ' 14' ' ' PHE . 63.0 t60 -131.89 123.03 26.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.59 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -93.83 136.28 34.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.278 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 1.043 HD22 HD22 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -111.61 158.69 18.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.258 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -140.81 156.1 46.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' CYS . . . . . 0.499 ' SG ' HG23 ' A' ' 135' ' ' THR . 26.5 p -81.49 157.72 24.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 108.278 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.418 ' NE2' ' HE3' ' A' ' 9' ' ' LYS . 51.0 t60 -113.3 61.82 0.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.606 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.499 HG23 ' SG ' ' A' ' 133' ' ' CYS . 69.9 p -57.42 171.75 0.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.436 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 14.8 p -157.58 50.63 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.5 81.76 0.6 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.39 -61.05 0.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.003 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.16 -54.94 1.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.173 . . . . 0.0 109.961 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 141' ' ' PRO . 0.0 OUTLIER -177.39 147.87 0.69 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 140' ' ' LYS . 18.4 Cg_endo -74.93 -58.0 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.475 1.776 . . . . 0.0 111.048 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -143.65 168.9 18.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.33 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.0 138.04 10.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.972 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -72.7 71.44 1.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 20.7 ptt? -137.75 171.36 14.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 111.014 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -48.35 136.97 11.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 5.1 t -179.03 161.52 1.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.968 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -172.42 151.16 13.83 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.491 1.119 . . . . 0.0 110.999 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -177.8 3.73 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.494 1.786 . . . . 0.0 111.051 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 50.8 p -135.9 156.33 48.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.982 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 65.6 p -177.63 161.94 1.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.008 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.482 1.114 . . . . 0.0 110.984 179.979 . . . . . . . . 0 0 . 1 stop_ save_