data_1b1v_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 1b1v _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 7' ' ' CYS . . . . . . . . . . . . . 31.3 m . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.527 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 7.8 tp -80.62 -55.48 4.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 109.354 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.527 ' CB ' ' O ' ' A' ' 8' ' ' LEU . . . 161.49 97.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.402 ' O ' ' CB ' ' A' ' 22' ' ' THR . . . 118.35 -34.11 4.56 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.418 1.073 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -65.81 157.09 31.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.459 0.741 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -116.5 161.59 18.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.1 mmm180 -98.85 103.37 15.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.103 . . . . 0.0 110.302 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.424 HG22 ' CD ' ' A' ' 20' ' ' LYS . 7.7 p -64.35 -167.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 110.416 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.38 8.25 19.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.581 1.175 . . . . 0.0 109.276 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -114.34 -18.59 11.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 95.87 2.9 60.94 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.453 1.096 . . . . 0.0 110.957 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.3 mtt-85 -84.35 112.64 20.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.561 0.801 . . . . 0.0 110.288 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.6 m -58.57 99.81 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 108.306 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.424 ' CD ' HG22 ' A' ' 14' ' ' THR . 8.3 mttp -98.47 172.57 4.65 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.433 1.083 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 143.15 28.5 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.464 1.771 . . . . 0.0 110.972 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.402 ' CB ' ' O ' ' A' ' 10' ' ' GLY . 9.8 m . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.406 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 85.5 m . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.515 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 17.1 tp -85.0 -55.88 3.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 8' ' ' LEU . . . 161.61 97.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 120.16 -35.86 3.63 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.451 1.094 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -62.55 155.8 24.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 0.744 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.425 ' N ' ' O ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -114.17 165.02 13.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 110.974 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.92 105.09 15.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.33 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.471 ' CG2' ' HB2' ' A' ' 20' ' ' LYS . 66.8 p -62.34 -158.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.45 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.38 9.52 39.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -114.99 -17.12 11.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.421 1.076 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 95.54 3.11 61.34 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.0 mtt85 -86.28 113.02 21.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 0.751 . . . . 0.0 110.307 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 94.9 m -54.36 103.54 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 108.281 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.471 ' HB2' ' CG2' ' A' ' 14' ' ' THR . 0.2 OUTLIER -96.94 166.38 14.01 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 143.83 29.51 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.48 1.779 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.1 m . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 110.343 -179.938 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 63.2 m . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.523 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 50.3 tp -80.13 -56.82 3.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.523 ' CB ' ' O ' ' A' ' 8' ' ' LEU . . . 161.28 92.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.407 ' O ' ' CB ' ' A' ' 22' ' ' THR . . . 125.19 -39.49 2.07 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.479 1.112 . . . . 0.0 111.098 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -53.36 156.79 2.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 0.772 . . . . 0.0 111.02 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.422 ' HE1' ' CB ' ' A' ' 20' ' ' LYS . 1.8 ptt? -108.4 158.53 17.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 111.067 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.98 105.52 17.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.307 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.0 p -59.87 -168.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.391 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.55 -0.97 39.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.72 -4.72 9.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 97.86 -15.68 61.38 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.0 mtt-85 -49.52 110.08 0.34 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 0.801 . . . . 0.0 110.282 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 84.9 m -61.9 90.09 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.087 . . . . 0.0 108.35 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.422 ' CB ' ' HE1' ' A' ' 12' ' ' MET . 10.9 mttt -84.27 168.07 23.7 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 144.44 30.11 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.569 1.826 . . . . 0.0 110.931 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.407 ' CB ' ' O ' ' A' ' 10' ' ' GLY . 39.7 m . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.37 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 92.8 m . . . . . 0 N--CA 1.454 -0.241 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.514 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 56.9 tp -85.31 -55.87 3.81 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.569 1.168 . . . . 0.0 109.366 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 8' ' ' LEU . . . 161.74 98.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.265 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.28 -39.33 2.55 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.489 1.118 . . . . 0.0 110.961 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -55.73 156.36 5.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.765 . . . . 0.0 110.96 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.432 ' N ' ' O ' ' A' ' 20' ' ' LYS . 0.6 OUTLIER -111.57 155.29 23.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 111.069 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.414 ' O ' ' CG ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -97.78 104.2 16.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.261 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 35.9 p -55.73 -164.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.365 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.19 2.95 25.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -121.22 -3.95 9.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.105 . . . . 0.0 109.315 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.0 -14.03 66.15 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.504 1.128 . . . . 0.0 111.014 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.4 mtt180 -52.31 111.86 0.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 0.759 . . . . 0.0 110.294 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 94.0 m -65.5 90.09 0.11 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 108.276 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 12' ' ' MET . 8.2 mttt -89.48 168.15 15.81 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.52 1.138 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 145.03 31.21 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.509 1.794 . . . . 0.0 111.011 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.5 m . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 0.0 110.39 -179.995 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 58.7 m . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.526 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 50.8 tp -73.73 -56.74 4.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.526 ' CB ' ' O ' ' A' ' 8' ' ' LEU . . . 161.19 95.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.4 ' O ' ' OG1' ' A' ' 22' ' ' THR . . . 119.84 -37.84 2.98 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.504 1.127 . . . . 0.0 110.991 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -55.77 157.55 4.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 0.766 . . . . 0.0 110.938 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.414 ' N ' ' O ' ' A' ' 20' ' ' LYS . 9.7 ptt? -112.19 162.48 15.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.082 . . . . 0.0 111.013 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -103.18 105.17 15.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.317 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.44 ' CG2' ' HG3' ' A' ' 20' ' ' LYS . 70.3 p -63.88 -165.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 0.0 110.415 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.62 8.52 28.01 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -114.35 -19.86 11.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.88 0.31 57.53 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -81.68 111.44 17.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 110.256 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 91.1 m -55.03 98.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 108.28 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.44 ' HG3' ' CG2' ' A' ' 14' ' ' THR . 0.4 OUTLIER -92.08 165.79 19.16 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 145.74 31.67 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.496 1.787 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 10' ' ' GLY . 18.1 m . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.36 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 72.4 m . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.511 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 33.4 tp -88.44 -55.49 3.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 8' ' ' LEU . . . 161.95 105.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.604 1.19 . . . . 0.0 109.264 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.02 -35.24 4.68 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.486 1.116 . . . . 0.0 110.944 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -62.19 155.98 23.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 0.783 . . . . 0.0 110.963 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.401 ' N ' ' O ' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -112.48 157.81 20.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.464 ' CG ' ' O ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -100.11 106.8 18.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.293 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 33.1 p -58.83 -153.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.579 1.174 . . . . 0.0 110.386 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -94.27 3.38 55.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.49 -8.66 10.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.249 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 96.45 -7.71 66.24 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.65 110.44 1.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 0.726 . . . . 0.0 110.31 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 99.7 m -65.12 95.12 0.16 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.453 1.096 . . . . 0.0 108.3 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' A' ' 12' ' ' MET . 4.0 mttt -94.91 172.64 5.25 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 146.32 32.38 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.463 1.77 . . . . 0.0 110.964 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.5 m . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.372 -179.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 38.4 m . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.52 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 18.9 tp -86.68 -55.8 3.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 8' ' ' LEU . . . 161.8 99.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.49 -37.96 2.97 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.435 1.084 . . . . 0.0 111.077 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -58.57 155.05 13.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 0.729 . . . . 0.0 110.963 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.447 ' CE ' ' HB3' ' A' ' 20' ' ' LYS . 0.9 OUTLIER -109.6 161.32 15.48 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.409 1.068 . . . . 0.0 110.982 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.39 106.14 18.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.0 p -63.53 -168.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.438 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.33 -0.79 38.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 109.312 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.24 -2.63 9.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.17 -14.77 64.62 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.535 1.147 . . . . 0.0 110.939 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 43.4 mtt180 -50.39 111.55 0.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 0.742 . . . . 0.0 110.338 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 92.6 m -64.41 94.82 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 108.349 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.447 ' HB3' ' CE ' ' A' ' 12' ' ' MET . 13.4 mttt -94.8 171.72 6.34 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 143.29 29.1 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.499 1.789 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.5 m . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.387 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 72.9 m . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.52 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 46.7 tp -80.39 -55.92 4.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 8' ' ' LEU . . . 161.55 103.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.451 1.094 . . . . 0.0 109.36 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.416 ' O ' ' OG1' ' A' ' 22' ' ' THR . . . 114.09 -34.78 4.79 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.49 1.119 . . . . 0.0 110.947 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -62.94 157.28 22.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 0.748 . . . . 0.0 110.971 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.418 ' N ' ' O ' ' A' ' 20' ' ' LYS . 14.3 ptt? -113.94 166.99 11.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -104.09 107.27 18.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 0.0 110.347 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.453 ' CG2' ' HB2' ' A' ' 20' ' ' LYS . 67.8 p -65.71 -162.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 110.409 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.02 7.56 39.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.09 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -114.22 -19.84 11.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.72 0.43 57.71 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.47 1.107 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.1 mmt-85 -82.0 111.63 18.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 0.756 . . . . 0.0 110.291 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 89.0 m -54.45 105.49 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 108.3 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.453 ' HB2' ' CG2' ' A' ' 14' ' ' THR . 4.3 mttt -101.88 170.5 6.35 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 145.2 31.0 Favored 'Trans proline' 0 C--N 1.358 1.067 0 O-C-N 124.575 1.829 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 10' ' ' GLY . 21.7 m . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.422 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 91.3 m . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.506 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 53.1 tp -82.94 -55.6 4.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.252 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 8' ' ' LEU . . . 162.45 102.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 109.333 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 115.39 -40.26 2.5 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.542 1.151 . . . . 0.0 111.044 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -55.47 158.26 3.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 110.99 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.401 ' O ' ' HA ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -111.77 164.24 13.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 0.0 111.046 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.1 mmt180 -105.25 107.21 18.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.309 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.3 p -65.98 -168.19 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.358 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.9 8.14 21.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.14 -20.68 10.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.59 -0.78 56.81 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.501 1.125 . . . . 0.0 111.01 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -80.38 111.3 16.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 0.76 . . . . 0.0 110.312 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 12' ' ' MET . 98.3 m -56.59 106.02 0.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.597 1.186 . . . . 0.0 108.325 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -103.11 170.19 6.55 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 145.66 31.59 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.536 1.809 . . . . 0.0 110.985 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.9 m . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.455 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 88.9 m . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.512 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 54.5 tp -87.49 -55.75 3.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 8' ' ' LEU . . . 161.81 100.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.16 -36.35 3.67 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -61.5 156.65 18.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 0.731 . . . . 0.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.411 ' N ' ' O ' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -113.06 158.21 20.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 111.031 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.419 ' O ' ' CG ' ' A' ' 13' ' ' ARG . 5.1 ppt_? -99.81 105.4 17.16 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.504 1.127 . . . . 0.0 110.324 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 42.7 p -59.78 -164.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.387 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.51 5.07 29.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.591 1.182 . . . . 0.0 109.22 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -117.75 -9.84 10.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.148 . . . . 0.0 109.312 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 93.73 -7.54 74.09 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.461 1.1 . . . . 0.0 110.993 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.32 112.29 3.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 0.764 . . . . 0.0 110.325 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 90.1 m -62.35 101.33 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 108.263 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -99.98 172.77 4.28 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.256 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 144.56 30.25 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.502 1.791 . . . . 0.0 110.983 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.1 m . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.332 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 83.4 m . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.511 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 49.8 tp -89.38 -55.98 3.44 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 8' ' ' LEU . . . 161.65 93.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.359 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 124.28 -39.56 2.12 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.452 1.095 . . . . 0.0 111.012 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -57.09 156.15 7.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 0.766 . . . . 0.0 111.036 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.408 ' O ' ' N ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -117.09 159.71 22.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.965 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.433 ' CG ' ' HA2' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -97.72 103.11 15.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.532 1.145 . . . . 0.0 110.314 -179.89 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.9 p -55.54 -166.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 110.385 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.68 9.41 13.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -114.33 -17.71 11.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.433 ' HA2' ' CG ' ' A' ' 13' ' ' ARG . . . 96.49 3.12 59.93 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.583 1.177 . . . . 0.0 111.025 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.5 mtp180 -86.32 113.07 22.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 0.749 . . . . 0.0 110.313 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 92.2 m -56.85 98.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 108.309 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 12' ' ' MET . 5.3 mttm -96.38 166.42 14.23 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.265 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 144.14 29.99 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.453 1.765 . . . . 0.0 111.011 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.0 m . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 110.365 179.993 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 57.6 m . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.522 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 38.2 tp -86.4 -55.64 3.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.522 ' CB ' ' O ' ' A' ' 8' ' ' LEU . . . 161.62 98.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.423 ' O ' ' OG1' ' A' ' 22' ' ' THR . . . 120.04 -37.29 3.14 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.47 1.106 . . . . 0.0 111.07 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -59.87 156.2 14.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 0.775 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -111.29 157.23 20.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.137 . . . . 0.0 110.956 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.8 ttp85 -97.97 104.83 16.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 47.2 p -59.3 -151.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.434 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -96.26 1.95 52.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.21 -4.31 9.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.27 -8.2 72.37 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.462 1.101 . . . . 0.0 110.979 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.0 mtt85 -57.86 110.53 0.93 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 0.763 . . . . 0.0 110.344 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 95.6 m -67.23 94.73 0.38 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.107 . . . . 0.0 108.355 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.412 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.4 OUTLIER -96.27 174.73 3.15 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.412 ' CD ' ' CB ' ' A' ' 20' ' ' LYS . 18.3 Cg_endo -74.99 144.37 30.2 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.502 1.791 . . . . 0.0 111.013 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' A' ' 10' ' ' GLY . 11.9 m . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.407 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.0 m . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.513 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 27.4 tp -83.44 -56.03 3.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 8' ' ' LEU . . . 161.63 97.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 121.28 -37.94 2.82 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.424 1.078 . . . . 0.0 111.008 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -58.93 155.32 13.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 0.798 . . . . 0.0 111.02 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.416 ' N ' ' O ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -110.88 162.63 14.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 111.013 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.14 104.11 16.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.48 ' CG2' ' HB2' ' A' ' 20' ' ' LYS . 55.0 p -65.39 -162.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.163 . . . . 0.0 110.401 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.66 22.03 4.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -130.61 7.06 4.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 71.55 10.64 71.28 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.451 1.094 . . . . 0.0 110.959 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.53 -170.28 2.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 0.747 . . . . 0.0 110.295 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 96.2 m -132.23 94.18 3.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 108.285 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.48 ' HB2' ' CG2' ' A' ' 14' ' ' THR . 8.9 mttp -95.75 172.38 5.34 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 142.91 28.46 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.533 1.807 . . . . 0.0 111.031 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.5 m . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.369 -179.919 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 84.9 m . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.515 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 47.0 tp -85.77 -56.14 3.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 8' ' ' LEU . . . 161.56 95.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 121.89 -35.63 3.48 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.584 1.177 . . . . 0.0 110.995 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -62.99 154.83 29.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.774 . . . . 0.0 110.997 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.418 ' O ' ' N ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -114.98 159.33 20.88 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.424 1.077 . . . . 0.0 110.954 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.432 ' CG ' ' HA2' ' A' ' 17' ' ' GLY . 1.9 tmm_? -100.3 106.2 17.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.294 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 47.3 p -62.13 -163.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.403 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.1 8.75 19.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.3 -14.24 11.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.432 ' HA2' ' CG ' ' A' ' 13' ' ' ARG . . . 94.13 -3.8 70.24 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.528 1.142 . . . . 0.0 111.01 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -75.17 113.45 12.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.552 0.795 . . . . 0.0 110.323 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 93.1 m -60.75 99.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 108.25 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -97.18 171.49 5.96 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 145.28 31.3 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.526 1.803 . . . . 0.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.4 ' OG1' ' HG2' ' A' ' 12' ' ' MET . 20.7 m . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.483 1.114 . . . . 0.0 110.416 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.9 m . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.524 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 56.0 tp -73.92 -55.12 6.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.524 ' CB ' ' O ' ' A' ' 8' ' ' LEU . . . 161.8 93.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.407 ' O ' ' OG1' ' A' ' 22' ' ' THR . . . 121.43 -36.05 3.4 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.552 1.158 . . . . 0.0 111.043 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -66.06 152.79 43.9 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.473 0.749 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.431 ' N ' ' O ' ' A' ' 20' ' ' LYS . 3.9 ptt? -111.3 157.13 20.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.75 104.02 16.0 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.7 p -64.06 -168.02 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.445 1.091 . . . . 0.0 110.347 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.78 9.03 17.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.165 . . . . 0.0 109.288 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -113.96 -20.96 10.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.29 -1.02 55.95 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.542 1.151 . . . . 0.0 110.975 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -81.86 111.03 17.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.761 . . . . 0.0 110.283 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.7 m -57.85 97.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 108.295 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 12' ' ' MET . 3.1 mttt -91.33 169.05 12.14 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 145.04 30.89 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.448 1.762 . . . . 0.0 110.981 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 10' ' ' GLY . 23.9 m . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.444 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.2 m . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.516 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 53.7 tp -84.07 -55.21 4.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.436 1.085 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 8' ' ' LEU . . . 162.32 101.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.56 -40.52 2.36 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.454 1.097 . . . . 0.0 111.053 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -55.57 154.58 6.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 0.75 . . . . 0.0 111.011 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.7 ptt? -110.68 159.79 17.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 111.023 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.63 106.29 18.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 110.242 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 38.7 p -64.25 -164.97 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.122 . . . . 0.0 110.417 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.94 1.21 44.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.267 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.44 -9.86 10.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.78 -8.04 70.75 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.478 1.111 . . . . 0.0 111.039 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.8 mmt85 -61.9 110.86 1.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 0.777 . . . . 0.0 110.281 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 89.8 m -61.33 99.85 0.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.403 1.065 . . . . 0.0 108.235 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.405 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -100.45 174.74 2.76 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.09 . . . . 0.0 109.291 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.405 ' CD ' ' CB ' ' A' ' 20' ' ' LYS . 18.2 Cg_endo -75.07 144.45 30.03 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.52 1.8 . . . . 0.0 111.004 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 28.1 m . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.446 1.091 . . . . 0.0 110.382 -179.964 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 68.4 m . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.506 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 49.7 tp -93.37 -54.79 3.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.357 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 8' ' ' LEU . . . 162.32 103.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.348 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.408 ' O ' ' OG1' ' A' ' 22' ' ' THR . . . 114.99 -36.64 3.83 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.573 1.171 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -64.19 154.77 33.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.57 0.806 . . . . 0.0 111.076 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.423 ' O ' ' N ' ' A' ' 20' ' ' LYS . 6.3 ptt? -117.98 161.51 19.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.147 . . . . 0.0 111.08 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.444 ' CD ' ' SG ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -99.6 105.51 17.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 110.304 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.452 ' CG2' ' HB2' ' A' ' 20' ' ' LYS . 39.5 p -57.61 -157.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.167 . . . . 0.0 110.465 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.64 9.24 33.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.01 -18.48 11.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.92 0.96 57.33 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.508 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 0.4 OUTLIER -82.89 118.93 23.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 110.323 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.444 ' SG ' ' CD ' ' A' ' 13' ' ' ARG . 94.2 m -63.94 97.56 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 108.32 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.452 ' HB2' ' CG2' ' A' ' 14' ' ' THR . 1.0 OUTLIER -95.8 171.98 5.77 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.256 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 145.26 30.94 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.517 1.799 . . . . 0.0 110.995 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 10' ' ' GLY . 8.9 m . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.118 . . . . 0.0 110.321 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 82.3 m . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.505 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 50.2 tp -81.51 -55.26 4.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 8' ' ' LEU . . . 161.96 96.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.158 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.64 -42.36 1.78 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.432 1.082 . . . . 0.0 111.031 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -53.67 155.78 2.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 0.727 . . . . 0.0 110.975 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.418 ' O ' ' N ' ' A' ' 20' ' ' LYS . 8.1 ptt? -117.25 161.35 19.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 111.031 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.435 ' CG ' ' HA2' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -100.54 105.68 17.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.09 . . . . 0.0 110.28 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.481 ' CG2' ' HB2' ' A' ' 20' ' ' LYS . 39.4 p -57.44 -159.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.369 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -90.79 9.63 29.36 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.446 1.091 . . . . 0.0 109.258 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.34 -18.05 11.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.435 ' HA2' ' CG ' ' A' ' 13' ' ' ARG . . . 97.49 3.36 58.55 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.463 1.102 . . . . 0.0 111.027 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.501 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 8.7 ptm180 -85.53 118.92 25.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.755 . . . . 0.0 110.277 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 97.9 m -62.74 100.3 0.19 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.527 1.142 . . . . 0.0 108.295 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.481 ' HB2' ' CG2' ' A' ' 14' ' ' THR . 0.0 OUTLIER -99.17 170.29 7.06 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.421 1.076 . . . . 0.0 109.272 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 144.57 30.55 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.579 1.831 . . . . 0.0 111.01 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.8 m . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.412 179.974 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.3 m . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.52 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 55.8 tp -75.71 -55.56 5.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 8' ' ' LEU . . . 161.78 97.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.54 -40.49 2.21 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -54.63 154.34 5.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 0.761 . . . . 0.0 110.924 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -109.07 165.15 11.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.96 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.8 106.03 18.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.426 HG23 ' CE ' ' A' ' 20' ' ' LYS . 4.9 p -63.93 -168.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 110.482 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.22 -1.02 38.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.37 -1.22 8.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 93.11 -14.82 64.36 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.508 1.13 . . . . 0.0 110.964 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 57.8 mtt180 -49.82 112.18 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 0.753 . . . . 0.0 110.25 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 12' ' ' MET . 95.2 m -62.17 93.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 108.247 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 12' ' ' MET . 1.1 mttm -92.0 170.27 9.62 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 143.19 28.87 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.486 1.782 . . . . 0.0 110.983 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.4 m . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 110.4 179.954 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 93.8 m . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.511 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 52.1 tp -85.5 -55.59 3.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 8' ' ' LEU . . . 162.05 98.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 109.262 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.53 -40.28 2.27 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.474 1.108 . . . . 0.0 111.064 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -55.33 156.64 4.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 0.787 . . . . 0.0 111.053 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.405 ' O ' ' HA ' ' A' ' 19' ' ' CYS . 1.7 ptt? -109.23 161.99 14.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 111.039 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.4 mtm180 -105.29 107.04 17.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.9 p -66.28 -168.0 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.434 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.32 7.55 21.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.459 ' OD2' ' CG ' ' A' ' 18' ' ' ARG . 26.1 t70 -114.91 -17.47 11.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 96.89 -2.03 61.64 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.47 1.106 . . . . 0.0 111.025 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.459 ' CG ' ' OD2' ' A' ' 16' ' ' ASP . 16.8 mmt180 -76.58 112.03 12.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 0.796 . . . . 0.0 110.264 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 12' ' ' MET . 96.5 m -59.49 105.87 0.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.085 . . . . 0.0 108.227 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.0 mptt -101.54 168.95 8.34 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.11 144.44 29.91 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.499 1.789 . . . . 0.0 110.978 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.9 m . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.437 179.96 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 88.5 m . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.508 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 54.9 tp -81.52 -55.57 4.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.55 1.156 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 8' ' ' LEU . . . 161.96 100.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 179.933 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.57 -39.13 2.79 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.466 1.104 . . . . 0.0 111.025 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -57.63 156.34 8.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 0.736 . . . . 0.0 111.026 179.948 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.484 ' CG ' ' OG1' ' A' ' 22' ' ' THR . 19.0 ptt? -115.21 164.03 14.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 111.016 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.439 ' CG ' ' HA2' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -102.88 105.27 15.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 -179.867 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.45 ' CG2' ' HB2' ' A' ' 20' ' ' LYS . 39.3 p -59.76 -157.85 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.414 1.071 . . . . 0.0 110.39 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.69 8.3 37.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.41 -13.18 10.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.282 179.938 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.439 ' HA2' ' CG ' ' A' ' 13' ' ' ARG . . . 92.44 -0.48 71.26 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.45 1.094 . . . . 0.0 110.959 179.919 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.6 mtm180 -78.77 113.64 17.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 0.751 . . . . 0.0 110.281 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 96.5 m -57.31 106.65 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.173 . . . . 0.0 108.272 -179.94 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.45 ' HB2' ' CG2' ' A' ' 14' ' ' THR . 0.0 OUTLIER -105.85 172.87 3.6 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.137 . . . . 0.0 109.279 179.958 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 144.99 31.05 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.449 1.762 . . . . 0.0 111.06 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.491 ' O ' ' CG2' ' A' ' 22' ' ' THR . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 110.41 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 88.6 m . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.514 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 53.3 tp -87.33 -55.66 3.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.335 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 8' ' ' LEU . . . 161.87 97.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.58 1.175 . . . . 0.0 109.256 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.89 -32.6 4.9 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.488 1.117 . . . . 0.0 110.977 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -70.76 152.88 43.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 0.755 . . . . 0.0 110.924 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.42 ' O ' ' N ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -118.6 162.45 18.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 111.006 179.98 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.458 ' CG ' ' HA2' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -98.66 106.94 19.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.285 179.993 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.43 ' CG2' ' HB2' ' A' ' 20' ' ' LYS . 68.9 p -58.58 -153.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 110.438 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.05 9.69 38.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -114.69 -18.24 11.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.921 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.458 ' HA2' ' CG ' ' A' ' 13' ' ' ARG . . . 98.62 2.23 57.53 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.444 1.09 . . . . 0.0 110.975 179.937 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.772 HH21 ' CE ' ' A' ' 20' ' ' LYS . 1.8 ptt180 -85.14 119.39 25.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 0.751 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 87.8 m -62.9 98.43 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 108.314 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.772 ' CE ' HH21 ' A' ' 18' ' ' ARG . 0.1 OUTLIER -93.7 167.13 14.43 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.941 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 142.12 27.32 Favored 'Trans proline' 0 C--N 1.358 1.075 0 O-C-N 124.505 1.792 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.4 m . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 110.407 -179.978 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 62.0 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.516 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 46.6 tp -82.01 -55.74 4.39 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 109.257 179.954 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 8' ' ' LEU . . . 161.54 95.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.401 1.063 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 121.39 -37.99 2.79 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.495 1.122 . . . . 0.0 111.044 -179.937 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -59.16 154.68 15.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 0.766 . . . . 0.0 111.038 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.411 ' N ' ' O ' ' A' ' 20' ' ' LYS . 8.1 ptt? -112.73 161.76 16.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 111.021 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.34 104.33 14.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.285 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.475 ' CG2' ' HB2' ' A' ' 20' ' ' LYS . 29.7 p -63.58 -164.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 110.35 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.21 10.1 23.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.251 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.2 -19.75 11.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 97.13 1.93 59.39 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.547 1.155 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.9 mtm180 -85.59 112.37 20.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 0.777 . . . . 0.0 110.305 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 98.1 m -54.85 102.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 108.343 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.475 ' HB2' ' CG2' ' A' ' 14' ' ' THR . 18.2 mttt -96.11 168.24 11.02 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.132 . . . . 0.0 109.319 179.895 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 144.5 30.47 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.495 1.787 . . . . 0.0 111.065 179.857 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.3 m . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.595 1.184 . . . . 0.0 110.395 -179.928 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 87.1 m . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.529 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 57.2 tp -85.5 -56.32 3.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.529 ' CB ' ' O ' ' A' ' 8' ' ' LEU . . . 161.03 96.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 121.83 -33.36 4.28 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.59 1.182 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -65.85 158.54 27.61 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.518 0.775 . . . . 0.0 111.034 179.955 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.413 ' N ' ' O ' ' A' ' 20' ' ' LYS . 6.4 ptt? -114.34 161.11 18.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.972 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.419 ' CG ' ' HA2' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -102.99 106.9 17.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 179.957 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 32.9 p -59.03 -153.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.388 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.11 4.98 53.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -116.61 -11.92 10.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.259 -179.932 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.419 ' HA2' ' CG ' ' A' ' 13' ' ' ARG . . . 96.23 -4.38 64.79 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.483 1.114 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.1 mtp85 -69.28 112.13 5.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 0.791 . . . . 0.0 110.3 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 12' ' ' MET . 85.4 m -62.44 100.36 0.18 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.472 1.107 . . . . 0.0 108.258 -179.91 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.43 ' HG3' ' CD ' ' A' ' 21' ' ' PRO . 0.9 OUTLIER -98.18 164.6 16.93 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 179.932 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.43 ' CD ' ' HG3' ' A' ' 20' ' ' LYS . 18.1 Cg_endo -75.02 142.46 27.8 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.402 1.738 . . . . 0.0 111.009 179.917 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.497 ' O ' ' CG2' ' A' ' 22' ' ' THR . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.413 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.5 m . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.488 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 41.6 tp -96.41 -53.56 3.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.359 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 8' ' ' LEU . . . 164.46 117.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.275 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.32 13.34 58.75 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.454 1.096 . . . . 0.0 110.991 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -125.33 149.24 48.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 0.75 . . . . 0.0 111.045 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 20' ' ' LYS . 1.1 ptt? -118.44 157.63 26.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 111.017 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -94.67 102.48 14.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.26 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 35.9 p -58.95 -153.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.607 1.192 . . . . 0.0 110.402 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -99.71 9.31 43.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -114.23 -17.54 11.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.39 3.42 57.56 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.483 1.114 . . . . 0.0 110.996 179.874 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.494 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 16.0 ptt180 -86.9 117.67 25.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 0.0 110.341 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.2 m -68.59 100.3 1.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 108.311 -179.861 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 12' ' ' MET . 3.6 mmtt -103.26 167.48 10.13 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 143.08 28.88 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.461 1.769 . . . . 0.0 111.06 179.876 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.9 m . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.356 -179.934 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 88.1 m . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.507 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 51.2 tp -90.74 -55.32 3.61 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.949 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 8' ' ' LEU . . . 162.42 99.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.28 -40.96 2.1 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.48 1.112 . . . . 0.0 111.046 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -54.95 155.65 4.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 0.735 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.403 ' O ' ' HA ' ' A' ' 19' ' ' CYS . 7.7 ptt? -108.05 158.85 17.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 111.043 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.47 ' CD ' ' HA2' ' A' ' 17' ' ' GLY . 5.3 ttt180 -102.53 108.97 20.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.442 ' CG2' ' HD2' ' A' ' 20' ' ' LYS . 29.7 p -63.98 -156.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.541 1.151 . . . . 0.0 110.409 179.966 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.32 3.87 54.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.399 1.062 . . . . 0.0 109.257 -179.953 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.16 -2.52 9.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.254 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.47 ' HA2' ' CD ' ' A' ' 13' ' ' ARG . . . 92.16 -11.72 71.41 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 -179.941 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.9 mmt85 -54.54 112.73 1.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 0.779 . . . . 0.0 110.298 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 12' ' ' MET . 93.2 m -69.22 95.1 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 108.277 -179.952 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.442 ' HD2' ' CG2' ' A' ' 14' ' ' THR . 3.0 mttt -91.91 167.21 15.74 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 144.42 30.29 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.373 1.723 . . . . 0.0 110.954 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 51.1 m . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.38 179.963 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 92.7 m . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.51 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 56.7 tp -85.59 -55.83 3.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.943 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 8' ' ' LEU . . . 161.96 104.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.82 -34.46 4.98 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.511 1.132 . . . . 0.0 110.964 179.924 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -64.01 157.72 24.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 0.743 . . . . 0.0 110.981 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.414 ' SD ' ' OG1' ' A' ' 22' ' ' THR . 6.7 ptt? -112.84 158.53 20.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.959 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.448 ' CG ' ' O ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -102.05 105.65 16.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 -179.966 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.2 p -60.56 -167.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 110.465 179.954 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.42 3.96 22.66 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.564 1.165 . . . . 0.0 109.258 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.52 -16.49 11.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.92 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.71 -6.69 60.75 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.547 1.154 . . . . 0.0 110.938 179.916 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.7 mtp85 -67.42 110.64 3.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 0.771 . . . . 0.0 110.277 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 94.0 m -61.96 106.3 0.69 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 108.227 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.64 168.19 8.14 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 142.77 28.53 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.516 1.798 . . . . 0.0 111.044 179.852 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.506 ' O ' ' CG2' ' A' ' 22' ' ' THR . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.42 1.075 . . . . 0.0 110.354 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 88.4 m . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.513 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 54.7 tp -79.98 -55.63 4.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 8' ' ' LEU . . . 161.91 100.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.95 -39.11 2.77 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -57.56 157.08 7.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 0.77 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.406 ' N ' ' O ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -112.63 166.3 11.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 110.969 -179.995 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.65 107.88 19.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 110.282 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.423 ' CG2' ' HB2' ' A' ' 20' ' ' LYS . 42.9 p -62.1 -153.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 0.0 110.442 179.914 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -100.88 9.77 41.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -114.5 -17.6 11.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.6 2.68 57.49 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.473 1.108 . . . . 0.0 110.97 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.498 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 8.1 ptm180 -85.55 118.71 25.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 0.776 . . . . 0.0 110.301 -179.945 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 89.6 m -61.71 107.37 0.81 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 108.34 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.423 ' HB2' ' CG2' ' A' ' 14' ' ' THR . 1.1 mttm -101.11 168.35 9.33 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 145.69 32.0 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.446 1.761 . . . . 0.0 111.013 -179.952 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.6 m . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 110.434 179.981 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 54.6 m . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.529 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 31.7 tp -79.32 -57.78 3.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.529 ' CB ' ' O ' ' A' ' 8' ' ' LEU . . . 161.26 88.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.35 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.413 ' O ' ' OG1' ' A' ' 22' ' ' THR . . . 129.16 -36.92 2.3 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.526 1.141 . . . . 0.0 111.028 -179.933 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -56.65 157.29 5.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 0.736 . . . . 0.0 111.022 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.408 ' N ' ' O ' ' A' ' 20' ' ' LYS . 5.4 ptt? -109.24 160.07 16.42 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.104 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -98.23 105.24 17.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 179.97 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.407 ' CG2' ' HB2' ' A' ' 20' ' ' LYS . 64.7 p -64.97 -162.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.381 179.95 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.93 21.34 4.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.348 179.92 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -129.98 6.45 5.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 73.41 9.18 77.26 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.521 1.138 . . . . 0.0 110.959 -179.985 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.89 -170.25 1.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 0.77 . . . . 0.0 110.331 -179.954 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 87.2 m -133.39 93.7 3.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 108.308 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 12' ' ' MET . 8.7 mptt -92.62 167.0 15.53 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 142.18 27.39 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.467 1.772 . . . . 0.0 111.007 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 10' ' ' GLY . 22.0 m . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.342 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 61.2 m . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.525 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 56.3 tp -81.4 -56.33 4.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.353 179.961 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.525 ' CB ' ' O ' ' A' ' 8' ' ' LEU . . . 161.25 95.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 121.89 -33.76 4.13 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 179.959 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -64.96 154.96 36.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.55 0.794 . . . . 0.0 110.952 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.404 ' N ' ' O ' ' A' ' 20' ' ' LYS . 6.9 ptt? -115.65 162.29 17.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 111.047 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -100.2 103.8 15.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 110.301 -179.94 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.472 ' CG2' ' HB2' ' A' ' 20' ' ' LYS . 32.7 p -58.96 -154.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.381 -179.898 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -98.81 9.64 42.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -114.52 -17.33 11.74 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.505 1.128 . . . . 0.0 109.247 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 97.69 3.69 58.24 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 -179.885 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.496 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 11.8 ptm180 -87.26 119.98 28.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 0.771 . . . . 0.0 110.322 179.945 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 87.9 m -63.66 105.96 0.89 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 108.319 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.472 ' HB2' ' CG2' ' A' ' 14' ' ' THR . 0.3 OUTLIER -103.52 173.43 3.44 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 -179.924 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 144.34 30.32 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.486 1.782 . . . . 0.0 111.028 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.2 m . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 110.39 179.99 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 13.2 p30 173.07 133.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -149.23 90.39 1.74 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 111.028 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -107.17 57.74 0.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.431 ' O ' ' NH2' ' A' ' 13' ' ' ARG . . . 110.77 -40.59 2.5 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.547 1.155 . . . . 0.0 111.012 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 125.04 51.59 0.18 Allowed Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 31.3 m -121.06 -179.97 4.2 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.527 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 7.8 tp -80.62 -55.48 4.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 109.354 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.527 ' CB ' ' O ' ' A' ' 8' ' ' LEU . . . 161.49 97.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.402 ' O ' ' CB ' ' A' ' 22' ' ' THR . . . 118.35 -34.11 4.56 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.418 1.073 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -65.81 157.09 31.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.459 0.741 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -116.5 161.59 18.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.431 ' NH2' ' O ' ' A' ' 5' ' ' GLY . 1.1 mmm180 -98.85 103.37 15.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.103 . . . . 0.0 110.302 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.424 HG22 ' CD ' ' A' ' 20' ' ' LYS . 7.7 p -64.35 -167.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 110.416 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.38 8.25 19.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.581 1.175 . . . . 0.0 109.276 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -114.34 -18.59 11.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 95.87 2.9 60.94 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.453 1.096 . . . . 0.0 110.957 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.3 mtt-85 -84.35 112.64 20.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.561 0.801 . . . . 0.0 110.288 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.6 m -58.57 99.81 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 108.306 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.424 ' CD ' HG22 ' A' ' 14' ' ' THR . 8.3 mttp -98.47 172.57 4.65 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.433 1.083 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.562 ' HB2' ' CD2' ' A' ' 23' ' ' PHE . 18.2 Cg_endo -75.07 143.15 28.5 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.464 1.771 . . . . 0.0 110.972 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 23' ' ' PHE . 9.8 m -107.68 8.08 28.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.406 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.562 ' CD2' ' HB2' ' A' ' 21' ' ' PRO . 11.8 m-85 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.417 1.073 . . . . 0.0 111.029 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 43.7 p-10 -174.49 164.72 3.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -150.82 100.45 2.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 111.018 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -152.94 46.02 0.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 109.334 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.571 ' CA ' HH21 ' A' ' 13' ' ' ARG . . . 106.06 -38.09 3.48 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.551 1.157 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 132.56 50.68 0.09 OUTLIER Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 85.5 m -107.86 -179.59 3.95 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.515 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 17.1 tp -85.0 -55.88 3.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 8' ' ' LEU . . . 161.61 97.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 120.16 -35.86 3.63 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.451 1.094 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -62.55 155.8 24.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 0.744 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.425 ' N ' ' O ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -114.17 165.02 13.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 110.974 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.571 HH21 ' CA ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -102.92 105.09 15.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.33 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.471 ' CG2' ' HB2' ' A' ' 20' ' ' LYS . 66.8 p -62.34 -158.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.45 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.38 9.52 39.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -114.99 -17.12 11.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.421 1.076 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 95.54 3.11 61.34 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.0 mtt85 -86.28 113.02 21.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 0.751 . . . . 0.0 110.307 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 94.9 m -54.36 103.54 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 108.281 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.471 ' HB2' ' CG2' ' A' ' 14' ' ' THR . 0.2 OUTLIER -96.94 166.38 14.01 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.552 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 18.3 Cg_endo -75.0 143.83 29.51 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.48 1.779 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.1 m -112.2 7.73 19.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 110.343 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.552 ' CE2' ' HB3' ' A' ' 21' ' ' PRO . 5.5 p90 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.574 1.171 . . . . 0.0 111.019 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 23.9 p-10 -89.09 153.81 20.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 109.343 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -146.57 -46.85 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -178.09 46.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 105.82 -38.05 3.5 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.549 1.156 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 133.42 53.44 0.08 OUTLIER Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 63.2 m -107.22 177.29 4.89 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.523 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 50.3 tp -80.13 -56.82 3.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.523 ' CB ' ' O ' ' A' ' 8' ' ' LEU . . . 161.28 92.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.407 ' O ' ' CB ' ' A' ' 22' ' ' THR . . . 125.19 -39.49 2.07 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.479 1.112 . . . . 0.0 111.098 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -53.36 156.79 2.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 0.772 . . . . 0.0 111.02 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.422 ' HE1' ' CB ' ' A' ' 20' ' ' LYS . 1.8 ptt? -108.4 158.53 17.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 111.067 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.98 105.52 17.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.307 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.0 p -59.87 -168.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.391 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.55 -0.97 39.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.72 -4.72 9.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 97.86 -15.68 61.38 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.0 mtt-85 -49.52 110.08 0.34 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 0.801 . . . . 0.0 110.282 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 84.9 m -61.9 90.09 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.087 . . . . 0.0 108.35 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.422 ' CB ' ' HE1' ' A' ' 12' ' ' MET . 10.9 mttt -84.27 168.07 23.7 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.553 ' HB3' ' CZ ' ' A' ' 23' ' ' PHE . 18.1 Cg_endo -75.04 144.44 30.11 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.569 1.826 . . . . 0.0 110.931 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.407 ' CB ' ' O ' ' A' ' 10' ' ' GLY . 39.7 m -110.87 8.27 22.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.37 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.553 ' CZ ' ' HB3' ' A' ' 21' ' ' PRO . 4.1 p90 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.997 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.449 ' CB ' ' HA2' ' A' ' 6' ' ' GLY . 52.1 m-20 -89.95 139.68 30.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 109.362 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -141.89 -51.75 0.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 110.967 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -108.42 55.07 0.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 109.39 -39.8 2.78 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.563 1.164 . . . . 0.0 110.941 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.449 ' HA2' ' CB ' ' A' ' 2' ' ' ASN . . . 117.77 58.25 0.29 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 92.8 m -101.72 178.77 4.53 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.514 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 56.9 tp -85.31 -55.87 3.81 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.569 1.168 . . . . 0.0 109.366 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 8' ' ' LEU . . . 161.74 98.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.265 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.28 -39.33 2.55 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.489 1.118 . . . . 0.0 110.961 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -55.73 156.36 5.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.765 . . . . 0.0 110.96 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.432 ' N ' ' O ' ' A' ' 20' ' ' LYS . 0.6 OUTLIER -111.57 155.29 23.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 111.069 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.414 ' O ' ' CG ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -97.78 104.2 16.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.261 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 35.9 p -55.73 -164.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.365 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.19 2.95 25.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -121.22 -3.95 9.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.105 . . . . 0.0 109.315 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.0 -14.03 66.15 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.504 1.128 . . . . 0.0 111.014 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.4 mtt180 -52.31 111.86 0.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 0.759 . . . . 0.0 110.294 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 94.0 m -65.5 90.09 0.11 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 108.276 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 12' ' ' MET . 8.2 mttt -89.48 168.15 15.81 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.52 1.138 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.56 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 18.3 Cg_endo -74.94 145.03 31.21 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.509 1.794 . . . . 0.0 111.011 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.5 m -105.29 7.86 33.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 0.0 110.39 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.56 ' CE2' ' HB3' ' A' ' 21' ' ' PRO . 4.7 p90 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.424 1.078 . . . . 0.0 110.953 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 42.3 m-20 -79.61 148.05 31.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 17.2 p90 -62.76 130.45 44.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 111.066 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -108.91 58.62 0.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 109.359 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.702 ' CA ' HH21 ' A' ' 13' ' ' ARG . . . 111.31 -40.88 2.39 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.46 1.1 . . . . 0.0 110.971 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 150.81 50.55 0.02 OUTLIER Glycine 0 CA--C 1.529 0.912 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 58.7 m -115.05 172.31 7.13 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.526 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 50.8 tp -73.73 -56.74 4.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.526 ' CB ' ' O ' ' A' ' 8' ' ' LEU . . . 161.19 95.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.4 ' O ' ' OG1' ' A' ' 22' ' ' THR . . . 119.84 -37.84 2.98 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.504 1.127 . . . . 0.0 110.991 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -55.77 157.55 4.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 0.766 . . . . 0.0 110.938 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.414 ' N ' ' O ' ' A' ' 20' ' ' LYS . 9.7 ptt? -112.19 162.48 15.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.082 . . . . 0.0 111.013 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.702 HH21 ' CA ' ' A' ' 5' ' ' GLY . 1.0 OUTLIER -103.18 105.17 15.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.317 179.906 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.44 ' CG2' ' HG3' ' A' ' 20' ' ' LYS . 70.3 p -63.88 -165.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 0.0 110.415 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.62 8.52 28.01 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -114.35 -19.86 11.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.88 0.31 57.53 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -81.68 111.44 17.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 110.256 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 91.1 m -55.03 98.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 108.28 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.44 ' HG3' ' CG2' ' A' ' 14' ' ' THR . 0.4 OUTLIER -92.08 165.79 19.16 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.568 ' HB2' ' CD2' ' A' ' 23' ' ' PHE . 18.1 Cg_endo -75.04 145.74 31.67 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.496 1.787 . . . . 0.0 110.995 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 10' ' ' GLY . 18.1 m -100.88 8.1 43.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.36 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.568 ' CD2' ' HB2' ' A' ' 21' ' ' PRO . 11.9 m-30 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -69.0 146.66 52.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 109.281 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -169.42 92.83 0.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.979 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -106.27 57.35 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 110.65 -40.51 2.52 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 125.2 56.15 0.17 Allowed Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 72.4 m -98.27 178.43 5.06 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.511 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 33.4 tp -88.44 -55.49 3.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 8' ' ' LEU . . . 161.95 105.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.604 1.19 . . . . 0.0 109.264 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.02 -35.24 4.68 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.486 1.116 . . . . 0.0 110.944 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -62.19 155.98 23.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 0.783 . . . . 0.0 110.963 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.401 ' N ' ' O ' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -112.48 157.81 20.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.464 ' CG ' ' O ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -100.11 106.8 18.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.293 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 33.1 p -58.83 -153.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.579 1.174 . . . . 0.0 110.386 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -94.27 3.38 55.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.49 -8.66 10.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.249 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 96.45 -7.71 66.24 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.65 110.44 1.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 0.726 . . . . 0.0 110.31 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 99.7 m -65.12 95.12 0.16 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.453 1.096 . . . . 0.0 108.3 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' A' ' 12' ' ' MET . 4.0 mttt -94.91 172.64 5.25 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 23' ' ' PHE . 18.1 Cg_endo -75.03 146.32 32.38 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.463 1.77 . . . . 0.0 110.964 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.5 m -109.94 7.96 24.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.372 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.561 ' CZ ' ' HB3' ' A' ' 21' ' ' PRO . 5.1 p90 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.34 165.15 24.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.36 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.408 ' CE1' ' HA2' ' A' ' 6' ' ' GLY . 0.2 OUTLIER -140.04 174.3 10.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 110.985 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -150.99 49.2 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 103.59 -36.9 4.03 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.453 1.096 . . . . 0.0 111.033 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.408 ' HA2' ' CE1' ' A' ' 3' ' ' PHE . . . 134.23 57.76 0.07 OUTLIER Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 38.4 m -113.1 -179.93 3.78 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.52 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 18.9 tp -86.68 -55.8 3.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 8' ' ' LEU . . . 161.8 99.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.49 -37.96 2.97 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.435 1.084 . . . . 0.0 111.077 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -58.57 155.05 13.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 0.729 . . . . 0.0 110.963 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.447 ' CE ' ' HB3' ' A' ' 20' ' ' LYS . 0.9 OUTLIER -109.6 161.32 15.48 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.409 1.068 . . . . 0.0 110.982 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.39 106.14 18.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.0 p -63.53 -168.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.438 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.33 -0.79 38.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 109.312 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.24 -2.63 9.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.17 -14.77 64.62 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.535 1.147 . . . . 0.0 110.939 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 43.4 mtt180 -50.39 111.55 0.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 0.742 . . . . 0.0 110.338 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 92.6 m -64.41 94.82 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 108.349 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.447 ' HB3' ' CE ' ' A' ' 12' ' ' MET . 13.4 mttt -94.8 171.72 6.34 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.55 ' HB3' ' CZ ' ' A' ' 23' ' ' PHE . 18.2 Cg_endo -74.94 143.29 29.1 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.499 1.789 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.5 m -112.44 7.61 19.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.387 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.55 ' CZ ' ' HB3' ' A' ' 21' ' ' PRO . 3.5 p90 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 111.037 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -158.32 170.29 22.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -89.92 48.8 1.62 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.5 1.125 . . . . 0.0 111.041 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 178.77 38.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 109.332 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -120.7 39.54 2.4 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.418 1.074 . . . . 0.0 110.977 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -166.71 -53.32 0.03 OUTLIER Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 72.9 m -52.74 175.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.52 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 46.7 tp -80.39 -55.92 4.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 8' ' ' LEU . . . 161.55 103.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.451 1.094 . . . . 0.0 109.36 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.416 ' O ' ' OG1' ' A' ' 22' ' ' THR . . . 114.09 -34.78 4.79 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.49 1.119 . . . . 0.0 110.947 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -62.94 157.28 22.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 0.748 . . . . 0.0 110.971 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.418 ' N ' ' O ' ' A' ' 20' ' ' LYS . 14.3 ptt? -113.94 166.99 11.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -104.09 107.27 18.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 0.0 110.347 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.453 ' CG2' ' HB2' ' A' ' 20' ' ' LYS . 67.8 p -65.71 -162.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 110.409 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.02 7.56 39.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.09 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -114.22 -19.84 11.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.72 0.43 57.71 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.47 1.107 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.1 mmt-85 -82.0 111.63 18.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 0.756 . . . . 0.0 110.291 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 89.0 m -54.45 105.49 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 108.3 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.453 ' HB2' ' CG2' ' A' ' 14' ' ' THR . 4.3 mttt -101.88 170.5 6.35 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.561 ' HB2' ' CD2' ' A' ' 23' ' ' PHE . 18.1 Cg_endo -75.05 145.2 31.0 Favored 'Trans proline' 0 C--N 1.358 1.067 0 O-C-N 124.575 1.829 . . . . 0.0 111.016 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 10' ' ' GLY . 21.7 m -106.0 7.95 32.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.422 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.561 ' CD2' ' HB2' ' A' ' 21' ' ' PRO . 11.9 m-85 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.99 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -96.47 163.29 13.11 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -165.49 152.84 10.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.967 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -155.52 41.77 0.42 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 104.47 -37.3 3.85 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.454 1.096 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 158.93 -47.34 0.43 Allowed Glycine 0 CA--C 1.531 1.066 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 91.3 m -53.84 176.11 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.506 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 53.1 tp -82.94 -55.6 4.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.252 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 8' ' ' LEU . . . 162.45 102.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 109.333 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 115.39 -40.26 2.5 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.542 1.151 . . . . 0.0 111.044 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -55.47 158.26 3.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 110.99 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.401 ' O ' ' HA ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -111.77 164.24 13.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 0.0 111.046 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.1 mmt180 -105.25 107.21 18.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.309 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.3 p -65.98 -168.19 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.358 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.9 8.14 21.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.14 -20.68 10.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.59 -0.78 56.81 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.501 1.125 . . . . 0.0 111.01 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -80.38 111.3 16.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 0.76 . . . . 0.0 110.312 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 12' ' ' MET . 98.3 m -56.59 106.02 0.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.597 1.186 . . . . 0.0 108.325 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -103.11 170.19 6.55 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.56 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 18.3 Cg_endo -75.03 145.66 31.59 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.536 1.809 . . . . 0.0 110.985 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.9 m -102.33 7.46 40.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.455 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.56 ' CE2' ' HB3' ' A' ' 21' ' ' PRO . 21.8 p90 . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 7' ' ' CYS . 24.2 m120 -66.36 178.01 1.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -101.18 177.32 4.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 45.2 t30 61.24 42.23 12.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 104.57 -37.33 3.84 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 115.2 50.38 0.46 Allowed Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.494 ' O ' ' CB ' ' A' ' 2' ' ' ASN . 88.9 m -103.52 -178.71 3.74 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.512 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 54.5 tp -87.49 -55.75 3.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 8' ' ' LEU . . . 161.81 100.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.16 -36.35 3.67 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -61.5 156.65 18.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 0.731 . . . . 0.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.411 ' N ' ' O ' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -113.06 158.21 20.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 111.031 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.419 ' O ' ' CG ' ' A' ' 13' ' ' ARG . 5.1 ppt_? -99.81 105.4 17.16 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.504 1.127 . . . . 0.0 110.324 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 42.7 p -59.78 -164.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.387 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.51 5.07 29.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.591 1.182 . . . . 0.0 109.22 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -117.75 -9.84 10.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.148 . . . . 0.0 109.312 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 93.73 -7.54 74.09 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.461 1.1 . . . . 0.0 110.993 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.32 112.29 3.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 0.764 . . . . 0.0 110.325 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 90.1 m -62.35 101.33 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 108.263 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -99.98 172.77 4.28 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.256 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.567 ' HB2' ' CD2' ' A' ' 23' ' ' PHE . 18.2 Cg_endo -75.04 144.56 30.25 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.502 1.791 . . . . 0.0 110.983 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 23' ' ' PHE . 11.1 m -110.49 8.33 23.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.332 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.567 ' CD2' ' HB2' ' A' ' 21' ' ' PRO . 12.5 m-85 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.543 1.152 . . . . 0.0 111.041 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -81.34 122.9 28.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.337 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.532 ' CG ' ' O ' ' A' ' 3' ' ' PHE . 7.7 p90 -55.87 124.14 16.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 110.997 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -94.15 48.11 1.23 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.472 ' CA ' ' NH2' ' A' ' 13' ' ' ARG . . . 106.61 -38.4 3.34 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.43 1.081 . . . . 0.0 110.938 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 137.99 44.77 0.08 OUTLIER Glycine 0 CA--C 1.531 1.061 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 83.4 m -100.73 -175.23 2.84 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.511 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 49.8 tp -89.38 -55.98 3.44 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 8' ' ' LEU . . . 161.65 93.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.359 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 124.28 -39.56 2.12 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.452 1.095 . . . . 0.0 111.012 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -57.09 156.15 7.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 0.766 . . . . 0.0 111.036 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.408 ' O ' ' N ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -117.09 159.71 22.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.965 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.472 ' NH2' ' CA ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -97.72 103.11 15.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.532 1.145 . . . . 0.0 110.314 -179.89 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.9 p -55.54 -166.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 110.385 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.68 9.41 13.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -114.33 -17.71 11.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.433 ' HA2' ' CG ' ' A' ' 13' ' ' ARG . . . 96.49 3.12 59.93 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.583 1.177 . . . . 0.0 111.025 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.5 mtp180 -86.32 113.07 22.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 0.749 . . . . 0.0 110.313 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 92.2 m -56.85 98.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 108.309 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 12' ' ' MET . 5.3 mttm -96.38 166.42 14.23 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.265 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.588 ' CB ' ' CZ ' ' A' ' 23' ' ' PHE . 18.4 Cg_endo -74.97 144.14 29.99 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.453 1.765 . . . . 0.0 111.011 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.0 m -83.31 6.77 18.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 110.365 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.588 ' CZ ' ' CB ' ' A' ' 21' ' ' PRO . 8.3 p90 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.3 m120 56.08 168.14 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.429 1.081 . . . . 0.0 109.314 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.54 ' CE1' ' C ' ' A' ' 5' ' ' GLY . 13.4 t80 -119.41 104.57 10.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.998 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -100.85 54.72 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.54 ' C ' ' CE1' ' A' ' 3' ' ' PHE . . . 109.25 -39.86 2.76 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 113.41 56.95 0.41 Allowed Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 57.6 m -97.73 -179.4 4.43 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.522 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 38.2 tp -86.4 -55.64 3.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.522 ' CB ' ' O ' ' A' ' 8' ' ' LEU . . . 161.62 98.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.423 ' O ' ' OG1' ' A' ' 22' ' ' THR . . . 120.04 -37.29 3.14 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.47 1.106 . . . . 0.0 111.07 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -59.87 156.2 14.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 0.775 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -111.29 157.23 20.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.137 . . . . 0.0 110.956 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.8 ttp85 -97.97 104.83 16.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 47.2 p -59.3 -151.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.434 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -96.26 1.95 52.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.21 -4.31 9.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.27 -8.2 72.37 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.462 1.101 . . . . 0.0 110.979 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.0 mtt85 -57.86 110.53 0.93 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 0.763 . . . . 0.0 110.344 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 95.6 m -67.23 94.73 0.38 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.107 . . . . 0.0 108.355 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.412 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.4 OUTLIER -96.27 174.73 3.15 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.567 ' HB2' ' CD2' ' A' ' 23' ' ' PHE . 18.3 Cg_endo -74.99 144.37 30.2 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.502 1.791 . . . . 0.0 111.013 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' A' ' 10' ' ' GLY . 11.9 m -109.8 8.25 24.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.407 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.567 ' CD2' ' HB2' ' A' ' 21' ' ' PRO . 12.4 m-85 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.573 1.171 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -151.96 165.1 35.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -104.95 -72.38 0.71 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.586 1.179 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -104.91 42.3 1.23 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 109.26 -35.21 5.06 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.639 1.212 . . . . 0.0 111.009 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -171.33 -71.96 0.04 OUTLIER Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.0 m -54.31 179.4 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.513 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 27.4 tp -83.44 -56.03 3.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 8' ' ' LEU . . . 161.63 97.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 121.28 -37.94 2.82 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.424 1.078 . . . . 0.0 111.008 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -58.93 155.32 13.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 0.798 . . . . 0.0 111.02 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.416 ' N ' ' O ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -110.88 162.63 14.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 111.013 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.14 104.11 16.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.48 ' CG2' ' HB2' ' A' ' 20' ' ' LYS . 55.0 p -65.39 -162.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.163 . . . . 0.0 110.401 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.66 22.03 4.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -130.61 7.06 4.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 71.55 10.64 71.28 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.451 1.094 . . . . 0.0 110.959 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.53 -170.28 2.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 0.747 . . . . 0.0 110.295 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 96.2 m -132.23 94.18 3.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 108.285 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.48 ' HB2' ' CG2' ' A' ' 14' ' ' THR . 8.9 mttp -95.75 172.38 5.34 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.566 ' HB2' ' CD2' ' A' ' 23' ' ' PHE . 18.4 Cg_endo -74.99 142.91 28.46 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.533 1.807 . . . . 0.0 111.031 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.5 m -108.34 8.26 27.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.369 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.566 ' CD2' ' HB2' ' A' ' 21' ' ' PRO . 12.2 m-85 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.584 1.178 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 53.62 174.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -117.3 157.3 26.33 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.468 1.105 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -92.34 36.09 1.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 103.08 -36.45 4.31 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.565 1.165 . . . . 0.0 111.098 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 105.46 60.47 0.63 Allowed Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 84.9 m -103.41 -178.29 3.62 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.515 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 47.0 tp -85.77 -56.14 3.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 8' ' ' LEU . . . 161.56 95.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 121.89 -35.63 3.48 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.584 1.177 . . . . 0.0 110.995 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -62.99 154.83 29.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.774 . . . . 0.0 110.997 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.418 ' O ' ' N ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -114.98 159.33 20.88 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.424 1.077 . . . . 0.0 110.954 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.432 ' CG ' ' HA2' ' A' ' 17' ' ' GLY . 1.9 tmm_? -100.3 106.2 17.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.294 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 47.3 p -62.13 -163.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.403 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.1 8.75 19.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.3 -14.24 11.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.432 ' HA2' ' CG ' ' A' ' 13' ' ' ARG . . . 94.13 -3.8 70.24 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.528 1.142 . . . . 0.0 111.01 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -75.17 113.45 12.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.552 0.795 . . . . 0.0 110.323 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 93.1 m -60.75 99.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 108.25 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -97.18 171.49 5.96 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.567 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 18.3 Cg_endo -74.99 145.28 31.3 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.526 1.803 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.4 ' OG1' ' HG2' ' A' ' 12' ' ' MET . 20.7 m -105.54 8.04 33.17 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.483 1.114 . . . . 0.0 110.416 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.567 ' CE2' ' HB3' ' A' ' 21' ' ' PRO . 5.0 p90 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 110.944 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.404 ' CG ' ' O ' ' A' ' 6' ' ' GLY . 0.5 OUTLIER -54.32 172.01 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.485 ' CD2' ' CD1' ' A' ' 8' ' ' LEU . 39.6 t80 -40.34 -66.54 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 111.043 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 7' ' ' CYS . 17.3 p30 -98.28 5.69 48.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.34 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 109.22 -21.9 25.94 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.439 1.087 . . . . 0.0 110.958 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.404 ' O ' ' CG ' ' A' ' 2' ' ' ASN . . . -115.82 -73.36 0.53 Allowed Glycine 0 CA--C 1.531 1.069 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.442 ' O ' ' ND2' ' A' ' 4' ' ' ASN . 15.9 m -130.13 178.98 6.15 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.524 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 56.0 tp -73.92 -55.12 6.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.524 ' CB ' ' O ' ' A' ' 8' ' ' LEU . . . 161.8 93.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.407 ' O ' ' OG1' ' A' ' 22' ' ' THR . . . 121.43 -36.05 3.4 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.552 1.158 . . . . 0.0 111.043 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -66.06 152.79 43.9 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.473 0.749 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.431 ' N ' ' O ' ' A' ' 20' ' ' LYS . 3.9 ptt? -111.3 157.13 20.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.75 104.02 16.0 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.7 p -64.06 -168.02 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.445 1.091 . . . . 0.0 110.347 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.78 9.03 17.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.165 . . . . 0.0 109.288 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -113.96 -20.96 10.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.29 -1.02 55.95 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.542 1.151 . . . . 0.0 110.975 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -81.86 111.03 17.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.761 . . . . 0.0 110.283 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.7 m -57.85 97.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 108.295 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 12' ' ' MET . 3.1 mttt -91.33 169.05 12.14 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.56 ' HB3' ' CZ ' ' A' ' 23' ' ' PHE . 18.2 Cg_endo -75.02 145.04 30.89 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.448 1.762 . . . . 0.0 110.981 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 10' ' ' GLY . 23.9 m -108.37 8.01 27.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.444 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.56 ' CZ ' ' HB3' ' A' ' 21' ' ' PRO . 4.9 p90 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.946 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 53.0 m-20 -122.54 137.48 54.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 109.357 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -60.42 162.1 6.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -111.37 49.24 0.89 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 104.68 -37.63 3.69 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.512 1.132 . . . . 0.0 110.961 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 136.38 51.61 0.07 OUTLIER Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.2 m -111.04 178.45 4.34 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.516 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 53.7 tp -84.07 -55.21 4.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.436 1.085 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 8' ' ' LEU . . . 162.32 101.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.56 -40.52 2.36 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.454 1.097 . . . . 0.0 111.053 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -55.57 154.58 6.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 0.75 . . . . 0.0 111.011 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.7 ptt? -110.68 159.79 17.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 111.023 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.63 106.29 18.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 110.242 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 38.7 p -64.25 -164.97 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.122 . . . . 0.0 110.417 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.94 1.21 44.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.267 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.44 -9.86 10.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.78 -8.04 70.75 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.478 1.111 . . . . 0.0 111.039 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.8 mmt85 -61.9 110.86 1.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 0.777 . . . . 0.0 110.281 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 89.8 m -61.33 99.85 0.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.403 1.065 . . . . 0.0 108.235 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.405 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -100.45 174.74 2.76 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.09 . . . . 0.0 109.291 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 23' ' ' PHE . 18.2 Cg_endo -75.07 144.45 30.03 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.52 1.8 . . . . 0.0 111.004 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 28.1 m -112.28 8.14 19.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.446 1.091 . . . . 0.0 110.382 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 21' ' ' PRO . 7.5 p90 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.165 . . . . 0.0 110.936 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 18.0 p-10 -46.72 170.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.391 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -110.21 165.32 11.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 174.59 40.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -112.76 37.91 3.45 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.438 1.086 . . . . 0.0 111.059 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -179.25 -37.07 0.07 OUTLIER Glycine 0 CA--C 1.529 0.941 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 68.4 m -72.14 -176.49 1.8 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.506 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 49.7 tp -93.37 -54.79 3.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.357 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 8' ' ' LEU . . . 162.32 103.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.348 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.408 ' O ' ' OG1' ' A' ' 22' ' ' THR . . . 114.99 -36.64 3.83 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.573 1.171 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -64.19 154.77 33.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.57 0.806 . . . . 0.0 111.076 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.423 ' O ' ' N ' ' A' ' 20' ' ' LYS . 6.3 ptt? -117.98 161.51 19.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.147 . . . . 0.0 111.08 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.444 ' CD ' ' SG ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -99.6 105.51 17.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 110.304 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.452 ' CG2' ' HB2' ' A' ' 20' ' ' LYS . 39.5 p -57.61 -157.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.167 . . . . 0.0 110.465 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.64 9.24 33.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.01 -18.48 11.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.92 0.96 57.33 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.508 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 0.4 OUTLIER -82.89 118.93 23.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 110.323 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.444 ' SG ' ' CD ' ' A' ' 13' ' ' ARG . 94.2 m -63.94 97.56 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 108.32 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.452 ' HB2' ' CG2' ' A' ' 14' ' ' THR . 1.0 OUTLIER -95.8 171.98 5.77 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.256 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.568 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 18.2 Cg_endo -75.08 145.26 30.94 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.517 1.799 . . . . 0.0 110.995 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 10' ' ' GLY . 8.9 m -104.62 7.73 35.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.118 . . . . 0.0 110.321 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.568 ' CE2' ' HB3' ' A' ' 21' ' ' PRO . 11.4 p90 . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 110.946 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 57.7 t30 178.23 152.58 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.173 . . . . 0.0 109.296 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -175.24 84.15 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.511 1.132 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -105.57 57.03 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.289 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.403 ' CA ' ' NH2' ' A' ' 13' ' ' ARG . . . 110.49 -40.46 2.54 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.602 1.189 . . . . 0.0 110.962 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 128.04 50.41 0.14 Allowed Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 82.3 m -100.93 178.05 4.78 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.505 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 50.2 tp -81.51 -55.26 4.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 8' ' ' LEU . . . 161.96 96.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.158 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.64 -42.36 1.78 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.432 1.082 . . . . 0.0 111.031 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -53.67 155.78 2.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 0.727 . . . . 0.0 110.975 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.418 ' O ' ' N ' ' A' ' 20' ' ' LYS . 8.1 ptt? -117.25 161.35 19.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 111.031 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.435 ' CG ' ' HA2' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -100.54 105.68 17.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.09 . . . . 0.0 110.28 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.481 ' CG2' ' HB2' ' A' ' 20' ' ' LYS . 39.4 p -57.44 -159.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.369 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -90.79 9.63 29.36 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.446 1.091 . . . . 0.0 109.258 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.34 -18.05 11.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.435 ' HA2' ' CG ' ' A' ' 13' ' ' ARG . . . 97.49 3.36 58.55 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.463 1.102 . . . . 0.0 111.027 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.501 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 8.7 ptm180 -85.53 118.92 25.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.755 . . . . 0.0 110.277 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 97.9 m -62.74 100.3 0.19 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.527 1.142 . . . . 0.0 108.295 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.481 ' HB2' ' CG2' ' A' ' 14' ' ' THR . 0.0 OUTLIER -99.17 170.29 7.06 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.421 1.076 . . . . 0.0 109.272 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.579 ' CB ' ' CZ ' ' A' ' 23' ' ' PHE . 18.4 Cg_endo -74.96 144.57 30.55 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.579 1.831 . . . . 0.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.8 m -89.42 7.5 35.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.412 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.579 ' CZ ' ' CB ' ' A' ' 21' ' ' PRO . 8.1 p90 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.3 m120 72.21 153.85 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -89.82 29.92 1.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 111.04 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.411 ' O ' ' OD1' ' A' ' 4' ' ' ASN . 11.3 t-20 -116.7 -2.37 11.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 101.83 -36.33 4.31 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.476 1.11 . . . . 0.0 111.038 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 140.94 73.9 0.04 OUTLIER Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.403 ' SG ' ' OD1' ' A' ' 4' ' ' ASN . 13.3 m -125.66 176.87 6.59 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.52 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 55.8 tp -75.71 -55.56 5.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 8' ' ' LEU . . . 161.78 97.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.54 -40.49 2.21 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -54.63 154.34 5.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 0.761 . . . . 0.0 110.924 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -109.07 165.15 11.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.96 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.8 106.03 18.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.426 HG23 ' CE ' ' A' ' 20' ' ' LYS . 4.9 p -63.93 -168.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 110.482 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.22 -1.02 38.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.37 -1.22 8.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 93.11 -14.82 64.36 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.508 1.13 . . . . 0.0 110.964 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 57.8 mtt180 -49.82 112.18 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 0.753 . . . . 0.0 110.25 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 12' ' ' MET . 95.2 m -62.17 93.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 108.247 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 12' ' ' MET . 1.1 mttm -92.0 170.27 9.62 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.548 ' HB3' ' CZ ' ' A' ' 23' ' ' PHE . 18.2 Cg_endo -74.97 143.19 28.87 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.486 1.782 . . . . 0.0 110.983 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.4 m -115.48 7.9 15.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 110.4 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.548 ' CZ ' ' HB3' ' A' ' 21' ' ' PRO . 6.7 p90 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -66.64 167.15 11.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.894 ' CB ' HH21 ' A' ' 13' ' ' ARG . 2.4 t80 -148.11 -51.43 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.994 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.409 ' O ' ' CG ' ' A' ' 4' ' ' ASN . 23.0 t-20 62.49 26.92 16.01 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -113.25 36.55 4.01 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.475 1.109 . . . . 0.0 110.995 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -171.15 -50.38 0.04 OUTLIER Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 93.8 m -51.94 179.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.511 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 52.1 tp -85.5 -55.59 3.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 8' ' ' LEU . . . 162.05 98.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 109.262 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.53 -40.28 2.27 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.474 1.108 . . . . 0.0 111.064 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -55.33 156.64 4.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 0.787 . . . . 0.0 111.053 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.405 ' O ' ' HA ' ' A' ' 19' ' ' CYS . 1.7 ptt? -109.23 161.99 14.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 111.039 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.894 HH21 ' CB ' ' A' ' 3' ' ' PHE . 4.4 mtm180 -105.29 107.04 17.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.9 p -66.28 -168.0 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.434 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.32 7.55 21.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.459 ' OD2' ' CG ' ' A' ' 18' ' ' ARG . 26.1 t70 -114.91 -17.47 11.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 96.89 -2.03 61.64 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.47 1.106 . . . . 0.0 111.025 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.459 ' CG ' ' OD2' ' A' ' 16' ' ' ASP . 16.8 mmt180 -76.58 112.03 12.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 0.796 . . . . 0.0 110.264 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 12' ' ' MET . 96.5 m -59.49 105.87 0.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.085 . . . . 0.0 108.227 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.0 mptt -101.54 168.95 8.34 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.555 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 18.2 Cg_endo -75.11 144.44 29.91 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.499 1.789 . . . . 0.0 110.978 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 23' ' ' PHE . 16.9 m -117.22 8.95 13.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.437 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.555 ' CE2' ' HB3' ' A' ' 21' ' ' PRO . 13.6 m-85 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.972 -179.935 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.404 ' HB3' ' CA ' ' A' ' 6' ' ' GLY . 22.5 m120 -142.58 170.19 16.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 109.225 -179.92 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -86.18 -61.04 1.84 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 111.041 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -126.57 50.07 1.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 107.2 -38.83 3.13 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.477 1.11 . . . . 0.0 111.011 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.404 ' CA ' ' HB3' ' A' ' 2' ' ' ASN . . . 111.74 56.52 0.47 Allowed Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 88.5 m -104.08 177.17 4.92 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 179.913 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.508 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 54.9 tp -81.52 -55.57 4.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.55 1.156 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 8' ' ' LEU . . . 161.96 100.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 179.933 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.57 -39.13 2.79 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.466 1.104 . . . . 0.0 111.025 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -57.63 156.34 8.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 0.736 . . . . 0.0 111.026 179.948 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.484 ' CG ' ' OG1' ' A' ' 22' ' ' THR . 19.0 ptt? -115.21 164.03 14.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 111.016 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.439 ' CG ' ' HA2' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -102.88 105.27 15.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 -179.867 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.45 ' CG2' ' HB2' ' A' ' 20' ' ' LYS . 39.3 p -59.76 -157.85 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.414 1.071 . . . . 0.0 110.39 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.69 8.3 37.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.41 -13.18 10.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.282 179.938 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.439 ' HA2' ' CG ' ' A' ' 13' ' ' ARG . . . 92.44 -0.48 71.26 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.45 1.094 . . . . 0.0 110.959 179.919 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.6 mtm180 -78.77 113.64 17.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 0.751 . . . . 0.0 110.281 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 96.5 m -57.31 106.65 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.173 . . . . 0.0 108.272 -179.94 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.45 ' HB2' ' CG2' ' A' ' 14' ' ' THR . 0.0 OUTLIER -105.85 172.87 3.6 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.137 . . . . 0.0 109.279 179.958 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 144.99 31.05 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.449 1.762 . . . . 0.0 111.06 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.491 ' O ' ' CG2' ' A' ' 22' ' ' THR . 0.9 OUTLIER -129.15 4.47 5.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 110.41 -179.994 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.7 p90 . . . . . 0 C--N 1.326 -0.426 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 179.963 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 64.4 t30 178.68 162.33 0.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.079 . . . . 0.0 109.405 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -105.15 -63.78 1.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 110.993 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 46.3 t30 176.8 43.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 104.92 -37.53 3.75 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.519 1.137 . . . . 0.0 111.072 -179.93 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 121.22 47.25 0.31 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 88.6 m -104.66 -176.16 3.0 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.925 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.514 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 53.3 tp -87.33 -55.66 3.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.335 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 8' ' ' LEU . . . 161.87 97.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.58 1.175 . . . . 0.0 109.256 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.89 -32.6 4.9 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.488 1.117 . . . . 0.0 110.977 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -70.76 152.88 43.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 0.755 . . . . 0.0 110.924 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.42 ' O ' ' N ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -118.6 162.45 18.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 111.006 179.98 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.458 ' CG ' ' HA2' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -98.66 106.94 19.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.285 179.993 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.43 ' CG2' ' HB2' ' A' ' 20' ' ' LYS . 68.9 p -58.58 -153.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 110.438 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.05 9.69 38.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -114.69 -18.24 11.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.921 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.458 ' HA2' ' CG ' ' A' ' 13' ' ' ARG . . . 98.62 2.23 57.53 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.444 1.09 . . . . 0.0 110.975 179.937 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.772 HH21 ' CE ' ' A' ' 20' ' ' LYS . 1.8 ptt180 -85.14 119.39 25.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 0.751 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 87.8 m -62.9 98.43 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 108.314 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.772 ' CE ' HH21 ' A' ' 18' ' ' ARG . 0.1 OUTLIER -93.7 167.13 14.43 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.941 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 23' ' ' PHE . 18.4 Cg_endo -75.05 142.12 27.32 Favored 'Trans proline' 0 C--N 1.358 1.075 0 O-C-N 124.505 1.792 . . . . 0.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.4 m -104.7 7.56 34.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 110.407 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 21' ' ' PRO . 4.9 p90 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -134.0 14.52 3.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -106.81 171.69 7.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 111.026 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -100.83 54.82 0.86 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.431 1.082 . . . . 0.0 109.328 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.703 ' CA ' HH21 ' A' ' 13' ' ' ARG . . . 109.42 -39.83 2.77 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.527 1.142 . . . . 0.0 111.028 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 132.84 54.81 0.08 OUTLIER Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 62.0 m -112.74 179.75 3.89 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.516 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 46.6 tp -82.01 -55.74 4.39 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 109.257 179.954 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 8' ' ' LEU . . . 161.54 95.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.401 1.063 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 121.39 -37.99 2.79 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.495 1.122 . . . . 0.0 111.044 -179.937 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -59.16 154.68 15.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 0.766 . . . . 0.0 111.038 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.411 ' N ' ' O ' ' A' ' 20' ' ' LYS . 8.1 ptt? -112.73 161.76 16.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 111.021 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.703 HH21 ' CA ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -102.34 104.33 14.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.285 -179.944 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.475 ' CG2' ' HB2' ' A' ' 20' ' ' LYS . 29.7 p -63.58 -164.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 110.35 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.21 10.1 23.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.251 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.2 -19.75 11.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 97.13 1.93 59.39 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.547 1.155 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.9 mtm180 -85.59 112.37 20.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 0.777 . . . . 0.0 110.305 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 98.1 m -54.85 102.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 108.343 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.475 ' HB2' ' CG2' ' A' ' 14' ' ' THR . 18.2 mttt -96.11 168.24 11.02 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.132 . . . . 0.0 109.319 179.895 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.562 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 18.2 Cg_endo -74.96 144.5 30.47 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.495 1.787 . . . . 0.0 111.065 179.857 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.3 m -114.75 7.23 15.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.595 1.184 . . . . 0.0 110.395 -179.928 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.562 ' CE2' ' HB3' ' A' ' 21' ' ' PRO . 12.7 p90 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 111.032 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.8 m120 56.65 170.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.43 1.081 . . . . 0.0 109.292 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.644 ' CE1' ' NH2' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -92.48 163.58 13.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 111.059 179.994 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 172.8 40.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -116.01 38.66 2.98 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.466 1.104 . . . . 0.0 111.04 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -177.52 -51.49 0.07 OUTLIER Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 87.1 m -53.95 -179.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.529 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 57.2 tp -85.5 -56.32 3.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.529 ' CB ' ' O ' ' A' ' 8' ' ' LEU . . . 161.03 96.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 121.83 -33.36 4.28 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.59 1.182 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -65.85 158.54 27.61 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.518 0.775 . . . . 0.0 111.034 179.955 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.413 ' N ' ' O ' ' A' ' 20' ' ' LYS . 6.4 ptt? -114.34 161.11 18.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.972 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.644 ' NH2' ' CE1' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -102.99 106.9 17.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 179.957 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 32.9 p -59.03 -153.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.388 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.11 4.98 53.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -116.61 -11.92 10.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.259 -179.932 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.419 ' HA2' ' CG ' ' A' ' 13' ' ' ARG . . . 96.23 -4.38 64.79 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.483 1.114 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.1 mtp85 -69.28 112.13 5.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 0.791 . . . . 0.0 110.3 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 12' ' ' MET . 85.4 m -62.44 100.36 0.18 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.472 1.107 . . . . 0.0 108.258 -179.91 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.43 ' HG3' ' CD ' ' A' ' 21' ' ' PRO . 0.9 OUTLIER -98.18 164.6 16.93 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 179.932 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.43 ' CD ' ' HG3' ' A' ' 20' ' ' LYS . 18.1 Cg_endo -75.02 142.46 27.8 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.402 1.738 . . . . 0.0 111.009 179.917 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.497 ' O ' ' CG2' ' A' ' 22' ' ' THR . 0.9 OUTLIER -132.41 5.73 4.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.413 -179.961 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.2 p90 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.952 -179.975 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -98.23 162.79 13.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -108.35 99.12 8.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 171.44 41.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -123.65 40.43 1.97 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -169.39 -57.32 0.03 OUTLIER Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.5 m -55.45 -174.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.488 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 41.6 tp -96.41 -53.56 3.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.359 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 8' ' ' LEU . . . 164.46 117.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.275 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.32 13.34 58.75 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.454 1.096 . . . . 0.0 110.991 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -125.33 149.24 48.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 0.75 . . . . 0.0 111.045 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 20' ' ' LYS . 1.1 ptt? -118.44 157.63 26.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 111.017 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -94.67 102.48 14.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.26 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 35.9 p -58.95 -153.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.607 1.192 . . . . 0.0 110.402 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -99.71 9.31 43.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -114.23 -17.54 11.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.39 3.42 57.56 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.483 1.114 . . . . 0.0 110.996 179.874 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.494 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 16.0 ptt180 -86.9 117.67 25.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 0.0 110.341 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.2 m -68.59 100.3 1.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 108.311 -179.861 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 12' ' ' MET . 3.6 mmtt -103.26 167.48 10.13 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.544 ' CB ' ' CZ ' ' A' ' 23' ' ' PHE . 18.6 Cg_endo -74.93 143.08 28.88 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.461 1.769 . . . . 0.0 111.06 179.876 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.9 m -81.98 6.61 15.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.356 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.544 ' CZ ' ' CB ' ' A' ' 21' ' ' PRO . 8.1 p90 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 111.019 179.93 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -51.72 132.66 31.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.092 . . . . 0.0 109.279 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -174.33 128.37 0.35 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 110.99 179.948 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -153.33 46.74 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.315 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 105.95 -38.16 3.45 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 134.88 52.0 0.07 OUTLIER Glycine 0 CA--C 1.53 1.031 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 88.1 m -104.71 -177.37 3.34 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.507 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 51.2 tp -90.74 -55.32 3.61 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.949 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 8' ' ' LEU . . . 162.42 99.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.28 -40.96 2.1 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.48 1.112 . . . . 0.0 111.046 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -54.95 155.65 4.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 0.735 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.403 ' O ' ' HA ' ' A' ' 19' ' ' CYS . 7.7 ptt? -108.05 158.85 17.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 111.043 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.47 ' CD ' ' HA2' ' A' ' 17' ' ' GLY . 5.3 ttt180 -102.53 108.97 20.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.442 ' CG2' ' HD2' ' A' ' 20' ' ' LYS . 29.7 p -63.98 -156.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.541 1.151 . . . . 0.0 110.409 179.966 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.32 3.87 54.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.399 1.062 . . . . 0.0 109.257 -179.953 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.16 -2.52 9.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.254 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.47 ' HA2' ' CD ' ' A' ' 13' ' ' ARG . . . 92.16 -11.72 71.41 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 -179.941 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.9 mmt85 -54.54 112.73 1.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 0.779 . . . . 0.0 110.298 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 12' ' ' MET . 93.2 m -69.22 95.1 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 108.277 -179.952 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.442 ' HD2' ' CG2' ' A' ' 14' ' ' THR . 3.0 mttt -91.91 167.21 15.74 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.483 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 18.3 Cg_endo -74.98 144.42 30.29 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.373 1.723 . . . . 0.0 110.954 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 51.1 m -116.27 8.29 14.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.38 179.963 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.483 ' CE2' ' HB3' ' A' ' 21' ' ' PRO . 4.9 p90 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 179.937 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.259 -0.275 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -122.19 140.5 52.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.938 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -58.51 178.73 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.583 1.177 . . . . 0.0 110.998 180.0 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -151.09 45.4 0.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 105.83 -38.02 3.52 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.56 1.162 . . . . 0.0 110.97 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 127.55 54.0 0.13 Allowed Glycine 0 CA--C 1.531 1.059 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 92.7 m -102.5 178.26 4.63 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.51 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 56.7 tp -85.59 -55.83 3.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.943 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 8' ' ' LEU . . . 161.96 104.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.82 -34.46 4.98 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.511 1.132 . . . . 0.0 110.964 179.924 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -64.01 157.72 24.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 0.743 . . . . 0.0 110.981 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.414 ' SD ' ' OG1' ' A' ' 22' ' ' THR . 6.7 ptt? -112.84 158.53 20.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.959 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.448 ' CG ' ' O ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -102.05 105.65 16.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 -179.966 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.2 p -60.56 -167.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 110.465 179.954 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.42 3.96 22.66 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.564 1.165 . . . . 0.0 109.258 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.52 -16.49 11.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.92 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.71 -6.69 60.75 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.547 1.154 . . . . 0.0 110.938 179.916 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.7 mtp85 -67.42 110.64 3.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 0.771 . . . . 0.0 110.277 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 94.0 m -61.96 106.3 0.69 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 108.227 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.64 168.19 8.14 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 142.77 28.53 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.516 1.798 . . . . 0.0 111.044 179.852 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.506 ' O ' ' CG2' ' A' ' 22' ' ' THR . 0.8 OUTLIER -130.83 4.31 4.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.42 1.075 . . . . 0.0 110.354 -179.997 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.6 p90 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.959 -179.993 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -162.38 133.05 4.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 63.2 t80 43.23 92.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.556 1.16 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -107.91 58.25 0.62 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 109.255 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 110.99 -40.69 2.46 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.132 . . . . 0.0 111.047 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -177.19 -66.09 0.06 OUTLIER Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 88.4 m -50.58 175.08 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.513 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 54.7 tp -79.98 -55.63 4.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 8' ' ' LEU . . . 161.91 100.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.95 -39.11 2.77 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -57.56 157.08 7.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 0.77 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.406 ' N ' ' O ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -112.63 166.3 11.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 110.969 -179.995 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.65 107.88 19.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 110.282 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.423 ' CG2' ' HB2' ' A' ' 20' ' ' LYS . 42.9 p -62.1 -153.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 0.0 110.442 179.914 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -100.88 9.77 41.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -114.5 -17.6 11.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.6 2.68 57.49 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.473 1.108 . . . . 0.0 110.97 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.498 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 8.1 ptm180 -85.55 118.71 25.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 0.776 . . . . 0.0 110.301 -179.945 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 89.6 m -61.71 107.37 0.81 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 108.34 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.423 ' HB2' ' CG2' ' A' ' 14' ' ' THR . 1.1 mttm -101.11 168.35 9.33 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.46 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 18.5 Cg_endo -74.94 145.69 32.0 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.446 1.761 . . . . 0.0 111.013 -179.952 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.6 m -117.05 7.89 13.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 110.434 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.46 ' CE2' ' HB3' ' A' ' 21' ' ' PRO . 47.9 p90 . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.587 1.179 . . . . 0.0 110.925 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 65.47 14.63 9.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.283 179.893 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -133.06 -53.5 0.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.977 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 173.7 40.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.108 . . . . 0.0 109.328 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -116.31 38.72 2.94 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -163.42 -51.84 0.02 OUTLIER Glycine 0 CA--C 1.529 0.925 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 54.6 m -54.93 179.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.529 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 31.7 tp -79.32 -57.78 3.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.529 ' CB ' ' O ' ' A' ' 8' ' ' LEU . . . 161.26 88.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.35 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.413 ' O ' ' OG1' ' A' ' 22' ' ' THR . . . 129.16 -36.92 2.3 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.526 1.141 . . . . 0.0 111.028 -179.933 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -56.65 157.29 5.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 0.736 . . . . 0.0 111.022 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.408 ' N ' ' O ' ' A' ' 20' ' ' LYS . 5.4 ptt? -109.24 160.07 16.42 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.104 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -98.23 105.24 17.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 179.97 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.407 ' CG2' ' HB2' ' A' ' 20' ' ' LYS . 64.7 p -64.97 -162.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.381 179.95 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.93 21.34 4.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.348 179.92 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -129.98 6.45 5.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 73.41 9.18 77.26 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.521 1.138 . . . . 0.0 110.959 -179.985 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.89 -170.25 1.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 0.77 . . . . 0.0 110.331 -179.954 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 87.2 m -133.39 93.7 3.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 108.308 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 12' ' ' MET . 8.7 mptt -92.62 167.0 15.53 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.568 ' HB2' ' CD2' ' A' ' 23' ' ' PHE . 18.2 Cg_endo -75.05 142.18 27.39 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.467 1.772 . . . . 0.0 111.007 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 10' ' ' GLY . 22.0 m -101.66 8.11 41.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.342 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.568 ' CD2' ' HB2' ' A' ' 21' ' ' PRO . 11.3 m-85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 111.075 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -105.51 14.56 28.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -87.56 128.41 35.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.097 . . . . 0.0 111.016 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -93.74 44.18 1.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 109.304 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 105.21 -37.75 3.65 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.56 1.163 . . . . 0.0 111.014 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 139.38 56.7 0.04 OUTLIER Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.976 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 61.2 m -110.93 179.93 3.91 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.972 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.525 ' O ' ' CB ' ' A' ' 9' ' ' ALA . 56.3 tp -81.4 -56.33 4.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.353 179.961 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.525 ' CB ' ' O ' ' A' ' 8' ' ' LEU . . . 161.25 95.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 121.89 -33.76 4.13 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 179.959 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -64.96 154.96 36.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.55 0.794 . . . . 0.0 110.952 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.404 ' N ' ' O ' ' A' ' 20' ' ' LYS . 6.9 ptt? -115.65 162.29 17.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 111.047 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -100.2 103.8 15.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 110.301 -179.94 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.472 ' CG2' ' HB2' ' A' ' 20' ' ' LYS . 32.7 p -58.96 -154.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.381 -179.898 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -98.81 9.64 42.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -114.52 -17.33 11.74 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.505 1.128 . . . . 0.0 109.247 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 97.69 3.69 58.24 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 -179.885 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.496 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 11.8 ptm180 -87.26 119.98 28.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 0.771 . . . . 0.0 110.322 179.945 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 87.9 m -63.66 105.96 0.89 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 108.319 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.472 ' HB2' ' CG2' ' A' ' 14' ' ' THR . 0.3 OUTLIER -103.52 173.43 3.44 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 -179.924 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.509 ' HB2' ' CD2' ' A' ' 23' ' ' PHE . 18.4 Cg_endo -74.95 144.34 30.32 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.486 1.782 . . . . 0.0 111.028 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 23' ' ' PHE . 16.2 m -108.87 8.25 26.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 110.39 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.509 ' CD2' ' HB2' ' A' ' 21' ' ' PRO . 11.3 m-85 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.958 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 31.3 m . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.712 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 7.8 tp -80.62 -55.48 4.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 109.354 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.712 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.49 97.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.408 ' O ' ' OG1' ' A' ' 22' ' ' THR . . . 118.35 -34.11 4.56 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.418 1.073 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -65.81 157.09 31.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.459 0.741 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -116.5 161.59 18.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.1 mmm180 -98.85 103.37 15.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.103 . . . . 0.0 110.302 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.413 HG21 ' CD ' ' A' ' 20' ' ' LYS . 7.7 p -64.35 -167.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 110.416 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.38 8.25 19.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.581 1.175 . . . . 0.0 109.276 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -114.34 -18.59 11.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 95.87 2.9 60.94 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.453 1.096 . . . . 0.0 110.957 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.3 mtt-85 -84.35 112.64 20.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.561 0.801 . . . . 0.0 110.288 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.6 m -58.57 99.81 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 108.306 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.413 ' CD ' HG21 ' A' ' 14' ' ' THR . 8.3 mttp -98.47 172.57 4.65 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.433 1.083 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 143.15 28.5 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.464 1.771 . . . . 0.0 110.972 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 10' ' ' GLY . 9.8 m . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.406 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 85.5 m . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.689 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 17.1 tp -85.0 -55.88 3.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.689 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.61 97.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 120.16 -35.86 3.63 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.451 1.094 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -62.55 155.8 24.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 0.744 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.425 ' N ' ' O ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -114.17 165.02 13.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 110.974 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.92 105.09 15.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.33 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.627 HG21 ' HG3' ' A' ' 20' ' ' LYS . 66.8 p -62.34 -158.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.45 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.38 9.52 39.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -114.99 -17.12 11.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.421 1.076 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 95.54 3.11 61.34 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.0 mtt85 -86.28 113.02 21.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 0.751 . . . . 0.0 110.307 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 94.9 m -54.36 103.54 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 108.281 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.627 ' HG3' HG21 ' A' ' 14' ' ' THR . 0.2 OUTLIER -96.94 166.38 14.01 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 143.83 29.51 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.48 1.779 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.1 m . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 110.343 -179.938 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 63.2 m . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.699 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 50.3 tp -80.13 -56.82 3.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.699 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.28 92.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.407 ' O ' ' CB ' ' A' ' 22' ' ' THR . . . 125.19 -39.49 2.07 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.479 1.112 . . . . 0.0 111.098 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.434 ' HE2' HD23 ' A' ' 8' ' ' LEU . 84.9 m-85 -53.36 156.79 2.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 0.772 . . . . 0.0 111.02 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.463 ' HE2' ' HB3' ' A' ' 20' ' ' LYS . 1.8 ptt? -108.4 158.53 17.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 111.067 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.98 105.52 17.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.307 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.496 HG23 ' HB2' ' A' ' 20' ' ' LYS . 5.0 p -59.87 -168.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.391 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.55 -0.97 39.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.72 -4.72 9.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 97.86 -15.68 61.38 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.0 mtt-85 -49.52 110.08 0.34 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 0.801 . . . . 0.0 110.282 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 84.9 m -61.9 90.09 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.087 . . . . 0.0 108.35 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.496 ' HB2' HG23 ' A' ' 14' ' ' THR . 10.9 mttt -84.27 168.07 23.7 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 144.44 30.11 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.569 1.826 . . . . 0.0 110.931 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.407 ' CB ' ' O ' ' A' ' 10' ' ' GLY . 39.7 m . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.37 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 92.8 m . . . . . 0 N--CA 1.454 -0.241 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.698 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 56.9 tp -85.31 -55.87 3.81 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.569 1.168 . . . . 0.0 109.366 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.698 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.74 98.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.265 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.28 -39.33 2.55 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.489 1.118 . . . . 0.0 110.961 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -55.73 156.36 5.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.765 . . . . 0.0 110.96 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.432 ' N ' ' O ' ' A' ' 20' ' ' LYS . 0.6 OUTLIER -111.57 155.29 23.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 111.069 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.414 ' O ' ' CG ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -97.78 104.2 16.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.261 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 35.9 p -55.73 -164.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.365 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.19 2.95 25.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -121.22 -3.95 9.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.105 . . . . 0.0 109.315 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.0 -14.03 66.15 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.504 1.128 . . . . 0.0 111.014 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.4 mtt180 -52.31 111.86 0.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 0.759 . . . . 0.0 110.294 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 94.0 m -65.5 90.09 0.11 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 108.276 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 12' ' ' MET . 8.2 mttt -89.48 168.15 15.81 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.52 1.138 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 145.03 31.21 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.509 1.794 . . . . 0.0 111.011 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.5 m . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 0.0 110.39 -179.995 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 58.7 m . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.704 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 50.8 tp -73.73 -56.74 4.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.704 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.19 95.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.84 -37.84 2.98 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.504 1.127 . . . . 0.0 110.991 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.461 ' HE1' HD23 ' A' ' 8' ' ' LEU . 80.2 m-85 -55.77 157.55 4.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 0.766 . . . . 0.0 110.938 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.414 ' N ' ' O ' ' A' ' 20' ' ' LYS . 9.7 ptt? -112.19 162.48 15.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.082 . . . . 0.0 111.013 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -103.18 105.17 15.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.317 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.706 HG21 ' HG3' ' A' ' 20' ' ' LYS . 70.3 p -63.88 -165.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 0.0 110.415 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.62 8.52 28.01 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -114.35 -19.86 11.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.88 0.31 57.53 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -81.68 111.44 17.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 110.256 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 91.1 m -55.03 98.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 108.28 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.706 ' HG3' HG21 ' A' ' 14' ' ' THR . 0.4 OUTLIER -92.08 165.79 19.16 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 145.74 31.67 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.496 1.787 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.1 m . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.36 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 72.4 m . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.683 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 33.4 tp -88.44 -55.49 3.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.683 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.95 105.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.604 1.19 . . . . 0.0 109.264 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.02 -35.24 4.68 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.486 1.116 . . . . 0.0 110.944 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -62.19 155.98 23.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 0.783 . . . . 0.0 110.963 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.409 ' O ' ' HA ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -112.48 157.81 20.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.464 ' CG ' ' O ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -100.11 106.8 18.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.293 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.641 HG23 ' O ' ' A' ' 18' ' ' ARG . 33.1 p -58.83 -153.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.579 1.174 . . . . 0.0 110.386 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -94.27 3.38 55.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.49 -8.66 10.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.249 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 96.45 -7.71 66.24 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.641 ' O ' HG23 ' A' ' 14' ' ' THR . 0.0 OUTLIER -61.65 110.44 1.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 0.726 . . . . 0.0 110.31 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.409 ' HA ' ' O ' ' A' ' 12' ' ' MET . 99.7 m -65.12 95.12 0.16 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.453 1.096 . . . . 0.0 108.3 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.617 ' HD2' HG21 ' A' ' 14' ' ' THR . 4.0 mttt -94.91 172.64 5.25 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 146.32 32.38 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.463 1.77 . . . . 0.0 110.964 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.5 m . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.372 -179.979 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 38.4 m . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.693 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 18.9 tp -86.68 -55.8 3.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.693 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.8 99.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.49 -37.96 2.97 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.435 1.084 . . . . 0.0 111.077 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.404 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 57.9 m-85 -58.57 155.05 13.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 0.729 . . . . 0.0 110.963 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.615 ' HE2' ' HB3' ' A' ' 20' ' ' LYS . 0.9 OUTLIER -109.6 161.32 15.48 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.409 1.068 . . . . 0.0 110.982 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.39 106.14 18.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.482 HG23 ' HB2' ' A' ' 20' ' ' LYS . 3.0 p -63.53 -168.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.438 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.33 -0.79 38.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 109.312 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.24 -2.63 9.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.17 -14.77 64.62 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.535 1.147 . . . . 0.0 110.939 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 43.4 mtt180 -50.39 111.55 0.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 0.742 . . . . 0.0 110.338 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 92.6 m -64.41 94.82 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 108.349 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.615 ' HB3' ' HE2' ' A' ' 12' ' ' MET . 13.4 mttt -94.8 171.72 6.34 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 143.29 29.1 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.499 1.789 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.5 m . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.387 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 72.9 m . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.695 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 46.7 tp -80.39 -55.92 4.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.695 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.55 103.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.451 1.094 . . . . 0.0 109.36 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.09 -34.78 4.79 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.49 1.119 . . . . 0.0 110.947 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -62.94 157.28 22.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 0.748 . . . . 0.0 110.971 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.418 ' N ' ' O ' ' A' ' 20' ' ' LYS . 14.3 ptt? -113.94 166.99 11.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -104.09 107.27 18.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 0.0 110.347 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.551 HG21 ' CE ' ' A' ' 20' ' ' LYS . 67.8 p -65.71 -162.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 110.409 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.02 7.56 39.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.09 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -114.22 -19.84 11.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.72 0.43 57.71 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.47 1.107 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.1 mmt-85 -82.0 111.63 18.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 0.756 . . . . 0.0 110.291 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 12' ' ' MET . 89.0 m -54.45 105.49 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 108.3 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.551 ' CE ' HG21 ' A' ' 14' ' ' THR . 4.3 mttt -101.88 170.5 6.35 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 145.2 31.0 Favored 'Trans proline' 0 C--N 1.358 1.067 0 O-C-N 124.575 1.829 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.7 m . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.422 -179.973 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 91.3 m . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.677 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 53.1 tp -82.94 -55.6 4.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.252 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.677 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 162.45 102.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 109.333 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 115.39 -40.26 2.5 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.542 1.151 . . . . 0.0 111.044 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -55.47 158.26 3.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 110.99 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.42 ' O ' ' HA ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -111.77 164.24 13.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 0.0 111.046 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.1 mmt180 -105.25 107.21 18.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.309 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.3 p -65.98 -168.19 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.358 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.9 8.14 21.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.14 -20.68 10.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.59 -0.78 56.81 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.501 1.125 . . . . 0.0 111.01 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -80.38 111.3 16.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 0.76 . . . . 0.0 110.312 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 12' ' ' MET . 98.3 m -56.59 106.02 0.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.597 1.186 . . . . 0.0 108.325 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -103.11 170.19 6.55 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 145.66 31.59 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.536 1.809 . . . . 0.0 110.985 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.9 m . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.455 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 88.9 m . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.683 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 54.5 tp -87.49 -55.75 3.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.683 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.81 100.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.16 -36.35 3.67 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -61.5 156.65 18.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 0.731 . . . . 0.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.411 ' N ' ' O ' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -113.06 158.21 20.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 111.031 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.419 ' O ' ' CG ' ' A' ' 13' ' ' ARG . 5.1 ppt_? -99.81 105.4 17.16 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.504 1.127 . . . . 0.0 110.324 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 42.7 p -59.78 -164.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.387 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.51 5.07 29.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.591 1.182 . . . . 0.0 109.22 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -117.75 -9.84 10.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.148 . . . . 0.0 109.312 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 93.73 -7.54 74.09 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.461 1.1 . . . . 0.0 110.993 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.32 112.29 3.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 0.764 . . . . 0.0 110.325 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 90.1 m -62.35 101.33 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 108.263 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -99.98 172.77 4.28 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.256 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 144.56 30.25 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.502 1.791 . . . . 0.0 110.983 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.1 m . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.332 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 83.4 m . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.698 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 49.8 tp -89.38 -55.98 3.44 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.698 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.65 93.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.359 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 124.28 -39.56 2.12 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.452 1.095 . . . . 0.0 111.012 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -57.09 156.15 7.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 0.766 . . . . 0.0 111.036 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.408 ' O ' ' N ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -117.09 159.71 22.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.965 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.434 ' CG ' ' HA2' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -97.72 103.11 15.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.532 1.145 . . . . 0.0 110.314 -179.89 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.604 HG23 ' HB2' ' A' ' 20' ' ' LYS . 8.9 p -55.54 -166.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 110.385 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.68 9.41 13.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -114.33 -17.71 11.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.434 ' HA2' ' CG ' ' A' ' 13' ' ' ARG . . . 96.49 3.12 59.93 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.583 1.177 . . . . 0.0 111.025 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.5 mtp180 -86.32 113.07 22.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 0.749 . . . . 0.0 110.313 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 92.2 m -56.85 98.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 108.309 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.604 ' HB2' HG23 ' A' ' 14' ' ' THR . 5.3 mttm -96.38 166.42 14.23 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.265 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 144.14 29.99 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.453 1.765 . . . . 0.0 111.011 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.0 m . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 110.365 179.993 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 57.6 m . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.695 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 38.2 tp -86.4 -55.64 3.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.695 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.62 98.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 120.04 -37.29 3.14 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.47 1.106 . . . . 0.0 111.07 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -59.87 156.2 14.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 0.775 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -111.29 157.23 20.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.137 . . . . 0.0 110.956 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.8 ttp85 -97.97 104.83 16.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.697 HG23 ' O ' ' A' ' 18' ' ' ARG . 47.2 p -59.3 -151.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.434 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -96.26 1.95 52.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.21 -4.31 9.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.27 -8.2 72.37 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.462 1.101 . . . . 0.0 110.979 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.697 ' O ' HG23 ' A' ' 14' ' ' THR . 2.0 mtt85 -57.86 110.53 0.93 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 0.763 . . . . 0.0 110.344 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 95.6 m -67.23 94.73 0.38 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.107 . . . . 0.0 108.355 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.412 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.4 OUTLIER -96.27 174.73 3.15 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.412 ' CD ' ' CB ' ' A' ' 20' ' ' LYS . 18.3 Cg_endo -74.99 144.37 30.2 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.502 1.791 . . . . 0.0 111.013 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.9 m . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.407 179.994 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.0 m . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.689 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 27.4 tp -83.44 -56.03 3.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.689 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.63 97.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 121.28 -37.94 2.82 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.424 1.078 . . . . 0.0 111.008 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.411 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 56.0 m-85 -58.93 155.32 13.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 0.798 . . . . 0.0 111.02 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.416 ' N ' ' O ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -110.88 162.63 14.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 111.013 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.14 104.11 16.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.48 ' CG2' ' HB2' ' A' ' 20' ' ' LYS . 55.0 p -65.39 -162.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.163 . . . . 0.0 110.401 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.66 22.03 4.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -130.61 7.06 4.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 71.55 10.64 71.28 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.451 1.094 . . . . 0.0 110.959 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.53 -170.28 2.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 0.747 . . . . 0.0 110.295 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 12' ' ' MET . 96.2 m -132.23 94.18 3.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 108.285 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.48 ' HB2' ' CG2' ' A' ' 14' ' ' THR . 8.9 mttp -95.75 172.38 5.34 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 142.91 28.46 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.533 1.807 . . . . 0.0 111.031 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.5 m . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.369 -179.919 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 84.9 m . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.689 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 47.0 tp -85.77 -56.14 3.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.689 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.56 95.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 121.89 -35.63 3.48 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.584 1.177 . . . . 0.0 110.995 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -62.99 154.83 29.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.774 . . . . 0.0 110.997 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.418 ' O ' ' N ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -114.98 159.33 20.88 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.424 1.077 . . . . 0.0 110.954 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.432 ' CG ' ' HA2' ' A' ' 17' ' ' GLY . 1.9 tmm_? -100.3 106.2 17.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.294 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.435 HG23 ' HB2' ' A' ' 20' ' ' LYS . 47.3 p -62.13 -163.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.403 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.1 8.75 19.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.3 -14.24 11.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.432 ' HA2' ' CG ' ' A' ' 13' ' ' ARG . . . 94.13 -3.8 70.24 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.528 1.142 . . . . 0.0 111.01 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -75.17 113.45 12.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.552 0.795 . . . . 0.0 110.323 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 12' ' ' MET . 93.1 m -60.75 99.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 108.25 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.435 ' HB2' HG23 ' A' ' 14' ' ' THR . 0.0 OUTLIER -97.18 171.49 5.96 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 145.28 31.3 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.526 1.803 . . . . 0.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.4 ' OG1' ' HG2' ' A' ' 12' ' ' MET . 20.7 m . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.483 1.114 . . . . 0.0 110.416 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.9 m . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.715 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 56.0 tp -73.92 -55.12 6.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.715 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.8 93.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 121.43 -36.05 3.4 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.552 1.158 . . . . 0.0 111.043 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -66.06 152.79 43.9 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.473 0.749 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.431 ' N ' ' O ' ' A' ' 20' ' ' LYS . 3.9 ptt? -111.3 157.13 20.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.75 104.02 16.0 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.456 HG23 ' HB2' ' A' ' 20' ' ' LYS . 7.7 p -64.06 -168.02 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.445 1.091 . . . . 0.0 110.347 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.78 9.03 17.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.165 . . . . 0.0 109.288 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -113.96 -20.96 10.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.29 -1.02 55.95 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.542 1.151 . . . . 0.0 110.975 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -81.86 111.03 17.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.761 . . . . 0.0 110.283 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.7 m -57.85 97.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 108.295 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.456 ' HB2' HG23 ' A' ' 14' ' ' THR . 3.1 mttt -91.33 169.05 12.14 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 145.04 30.89 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.448 1.762 . . . . 0.0 110.981 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 23.9 m . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.444 179.963 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.2 m . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.695 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 53.7 tp -84.07 -55.21 4.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.436 1.085 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.695 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 162.32 101.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.56 -40.52 2.36 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.454 1.097 . . . . 0.0 111.053 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.407 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 81.8 m-85 -55.57 154.58 6.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 0.75 . . . . 0.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.7 ptt? -110.68 159.79 17.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 111.023 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.63 106.29 18.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 110.242 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 38.7 p -64.25 -164.97 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.122 . . . . 0.0 110.417 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.94 1.21 44.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.267 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.44 -9.86 10.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.78 -8.04 70.75 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.478 1.111 . . . . 0.0 111.039 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.8 mmt85 -61.9 110.86 1.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 0.777 . . . . 0.0 110.281 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 89.8 m -61.33 99.85 0.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.403 1.065 . . . . 0.0 108.235 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -100.45 174.74 2.76 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.09 . . . . 0.0 109.291 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.405 ' CD ' ' CB ' ' A' ' 20' ' ' LYS . 18.2 Cg_endo -75.07 144.45 30.03 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.52 1.8 . . . . 0.0 111.004 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 28.1 m . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.446 1.091 . . . . 0.0 110.382 -179.964 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 68.4 m . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.688 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 49.7 tp -93.37 -54.79 3.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.357 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.688 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 162.32 103.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.348 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.99 -36.64 3.83 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.573 1.171 . . . . 0.0 110.988 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -64.19 154.77 33.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.57 0.806 . . . . 0.0 111.076 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.423 ' O ' ' N ' ' A' ' 20' ' ' LYS . 6.3 ptt? -117.98 161.51 19.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.147 . . . . 0.0 111.08 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.444 ' CD ' ' SG ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -99.6 105.51 17.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 110.304 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.452 ' CG2' ' HB2' ' A' ' 20' ' ' LYS . 39.5 p -57.61 -157.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.167 . . . . 0.0 110.465 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.64 9.24 33.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.01 -18.48 11.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.92 0.96 57.33 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.508 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 0.4 OUTLIER -82.89 118.93 23.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 110.323 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.444 ' SG ' ' CD ' ' A' ' 13' ' ' ARG . 94.2 m -63.94 97.56 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 108.32 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.452 ' HB2' ' CG2' ' A' ' 14' ' ' THR . 1.0 OUTLIER -95.8 171.98 5.77 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.256 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 145.26 30.94 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.517 1.799 . . . . 0.0 110.995 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.9 m . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.118 . . . . 0.0 110.321 -179.922 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 82.3 m . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.687 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 50.2 tp -81.51 -55.26 4.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.687 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.96 96.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.158 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.64 -42.36 1.78 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.432 1.082 . . . . 0.0 111.031 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -53.67 155.78 2.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 0.727 . . . . 0.0 110.975 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.418 ' O ' ' N ' ' A' ' 20' ' ' LYS . 8.1 ptt? -117.25 161.35 19.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 111.031 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.435 ' CG ' ' HA2' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -100.54 105.68 17.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.09 . . . . 0.0 110.28 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.48 ' CG2' ' HB2' ' A' ' 20' ' ' LYS . 39.4 p -57.44 -159.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.369 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -90.79 9.63 29.36 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.446 1.091 . . . . 0.0 109.258 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.34 -18.05 11.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.435 ' HA2' ' CG ' ' A' ' 13' ' ' ARG . . . 97.49 3.36 58.55 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.463 1.102 . . . . 0.0 111.027 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.501 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 8.7 ptm180 -85.53 118.92 25.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.755 . . . . 0.0 110.277 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 12' ' ' MET . 97.9 m -62.74 100.3 0.19 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.527 1.142 . . . . 0.0 108.295 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.48 ' HB2' ' CG2' ' A' ' 14' ' ' THR . 0.0 OUTLIER -99.17 170.29 7.06 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.421 1.076 . . . . 0.0 109.272 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 144.57 30.55 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.579 1.831 . . . . 0.0 111.01 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.8 m . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.412 179.974 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.3 m . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.702 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 55.8 tp -75.71 -55.56 5.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.702 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.78 97.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.54 -40.49 2.21 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -54.63 154.34 5.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 0.761 . . . . 0.0 110.924 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -109.07 165.15 11.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.96 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.8 106.03 18.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.609 HG23 ' HB2' ' A' ' 20' ' ' LYS . 4.9 p -63.93 -168.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 110.482 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.22 -1.02 38.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.37 -1.22 8.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 93.11 -14.82 64.36 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.508 1.13 . . . . 0.0 110.964 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 57.8 mtt180 -49.82 112.18 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 0.753 . . . . 0.0 110.25 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 12' ' ' MET . 95.2 m -62.17 93.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 108.247 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.609 ' HB2' HG23 ' A' ' 14' ' ' THR . 1.1 mttm -92.0 170.27 9.62 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 143.19 28.87 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.486 1.782 . . . . 0.0 110.983 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.4 m . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 110.4 179.954 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 93.8 m . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.682 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 52.1 tp -85.5 -55.59 3.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.682 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 162.05 98.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 109.262 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.53 -40.28 2.27 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.474 1.108 . . . . 0.0 111.064 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -55.33 156.64 4.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 0.787 . . . . 0.0 111.053 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.419 ' O ' ' HA ' ' A' ' 19' ' ' CYS . 1.7 ptt? -109.23 161.99 14.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 111.039 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.4 mtm180 -105.29 107.04 17.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.9 p -66.28 -168.0 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.434 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.32 7.55 21.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.459 ' OD2' ' CG ' ' A' ' 18' ' ' ARG . 26.1 t70 -114.91 -17.47 11.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 96.89 -2.03 61.64 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.47 1.106 . . . . 0.0 111.025 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.459 ' CG ' ' OD2' ' A' ' 16' ' ' ASP . 16.8 mmt180 -76.58 112.03 12.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 0.796 . . . . 0.0 110.264 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 12' ' ' MET . 96.5 m -59.49 105.87 0.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.085 . . . . 0.0 108.227 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.0 mptt -101.54 168.95 8.34 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.11 144.44 29.91 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.499 1.789 . . . . 0.0 110.978 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.513 ' O ' HG22 ' A' ' 22' ' ' THR . 16.9 m . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.437 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 88.5 m . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.68 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 54.9 tp -81.52 -55.57 4.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.55 1.156 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.68 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.96 100.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 179.933 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.57 -39.13 2.79 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.466 1.104 . . . . 0.0 111.025 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.464 ' HE2' HD23 ' A' ' 8' ' ' LEU . 78.2 m-85 -57.63 156.34 8.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 0.736 . . . . 0.0 111.026 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.484 ' CG ' ' OG1' ' A' ' 22' ' ' THR . 19.0 ptt? -115.21 164.03 14.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 111.016 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.44 ' CG ' ' HA2' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -102.88 105.27 15.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 -179.867 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.449 ' CG2' ' HB2' ' A' ' 20' ' ' LYS . 39.3 p -59.76 -157.85 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.414 1.071 . . . . 0.0 110.39 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.69 8.3 37.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.41 -13.18 10.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.282 179.938 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.44 ' HA2' ' CG ' ' A' ' 13' ' ' ARG . . . 92.44 -0.48 71.26 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.45 1.094 . . . . 0.0 110.959 179.919 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.6 mtm180 -78.77 113.64 17.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 0.751 . . . . 0.0 110.281 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 12' ' ' MET . 96.5 m -57.31 106.65 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.173 . . . . 0.0 108.272 -179.94 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.449 ' HB2' ' CG2' ' A' ' 14' ' ' THR . 0.0 OUTLIER -105.85 172.87 3.6 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.137 . . . . 0.0 109.279 179.958 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 144.99 31.05 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.449 1.762 . . . . 0.0 111.06 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.491 ' O ' ' CG2' ' A' ' 22' ' ' THR . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 110.41 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 88.6 m . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.686 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 53.3 tp -87.33 -55.66 3.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.335 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.686 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.87 97.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.58 1.175 . . . . 0.0 109.256 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.89 -32.6 4.9 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.488 1.117 . . . . 0.0 110.977 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -70.76 152.88 43.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 0.755 . . . . 0.0 110.924 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.42 ' O ' ' N ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -118.6 162.45 18.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 111.006 179.98 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.457 ' CG ' ' HA2' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -98.66 106.94 19.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.285 179.993 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.43 ' CG2' ' HB2' ' A' ' 20' ' ' LYS . 68.9 p -58.58 -153.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 110.438 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.05 9.69 38.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -114.69 -18.24 11.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.921 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.457 ' HA2' ' CG ' ' A' ' 13' ' ' ARG . . . 98.62 2.23 57.53 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.444 1.09 . . . . 0.0 110.975 179.937 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.792 HH21 ' CE ' ' A' ' 20' ' ' LYS . 1.8 ptt180 -85.14 119.39 25.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 0.751 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 87.8 m -62.9 98.43 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 108.314 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.792 ' CE ' HH21 ' A' ' 18' ' ' ARG . 0.1 OUTLIER -93.7 167.13 14.43 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.941 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 142.12 27.32 Favored 'Trans proline' 0 C--N 1.358 1.075 0 O-C-N 124.505 1.792 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.4 m . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 110.407 -179.978 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 62.0 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.689 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 46.6 tp -82.01 -55.74 4.39 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 109.257 179.954 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.689 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.54 95.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.401 1.063 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 121.39 -37.99 2.79 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.495 1.122 . . . . 0.0 111.044 -179.937 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.452 ' HE2' HD23 ' A' ' 8' ' ' LEU . 87.4 m-85 -59.16 154.68 15.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 0.766 . . . . 0.0 111.038 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.411 ' N ' ' O ' ' A' ' 20' ' ' LYS . 8.1 ptt? -112.73 161.76 16.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 111.021 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.34 104.33 14.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.285 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.475 ' CG2' ' HB2' ' A' ' 20' ' ' LYS . 29.7 p -63.58 -164.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 110.35 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.21 10.1 23.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.251 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.2 -19.75 11.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 97.13 1.93 59.39 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.547 1.155 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.9 mtm180 -85.59 112.37 20.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 0.777 . . . . 0.0 110.305 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 98.1 m -54.85 102.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 108.343 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.475 ' HB2' ' CG2' ' A' ' 14' ' ' THR . 18.2 mttt -96.11 168.24 11.02 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.132 . . . . 0.0 109.319 179.895 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 144.5 30.47 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.495 1.787 . . . . 0.0 111.065 179.857 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.3 m . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.595 1.184 . . . . 0.0 110.395 -179.928 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 87.1 m . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.701 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 57.2 tp -85.5 -56.32 3.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.701 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.03 96.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 121.83 -33.36 4.28 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.59 1.182 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -65.85 158.54 27.61 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.518 0.775 . . . . 0.0 111.034 179.955 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.417 ' O ' ' HA ' ' A' ' 19' ' ' CYS . 6.4 ptt? -114.34 161.11 18.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.972 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.418 ' CG ' ' HA2' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -102.99 106.9 17.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 179.957 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.489 HG23 ' O ' ' A' ' 18' ' ' ARG . 32.9 p -59.03 -153.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.388 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.11 4.98 53.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -116.61 -11.92 10.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.259 -179.932 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.418 ' HA2' ' CG ' ' A' ' 13' ' ' ARG . . . 96.23 -4.38 64.79 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.483 1.114 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.489 ' O ' HG23 ' A' ' 14' ' ' THR . 3.1 mtp85 -69.28 112.13 5.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 0.791 . . . . 0.0 110.3 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 12' ' ' MET . 85.4 m -62.44 100.36 0.18 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.472 1.107 . . . . 0.0 108.258 -179.91 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.466 ' HD3' HG21 ' A' ' 14' ' ' THR . 0.9 OUTLIER -98.18 164.6 16.93 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 179.932 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.43 ' CD ' ' HG3' ' A' ' 20' ' ' LYS . 18.1 Cg_endo -75.02 142.46 27.8 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.402 1.738 . . . . 0.0 111.009 179.917 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.497 ' O ' ' CG2' ' A' ' 22' ' ' THR . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.413 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.5 m . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.674 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 41.6 tp -96.41 -53.56 3.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.359 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.674 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 164.46 117.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.275 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.32 13.34 58.75 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.454 1.096 . . . . 0.0 110.991 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.43 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 26.1 m-85 -125.33 149.24 48.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 0.75 . . . . 0.0 111.045 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 20' ' ' LYS . 1.1 ptt? -118.44 157.63 26.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 111.017 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -94.67 102.48 14.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.26 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.404 ' H ' HG23 ' A' ' 14' ' ' THR . 35.9 p -58.95 -153.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.607 1.192 . . . . 0.0 110.402 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -99.71 9.31 43.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -114.23 -17.54 11.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.39 3.42 57.56 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.483 1.114 . . . . 0.0 110.996 179.874 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.494 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 16.0 ptt180 -86.9 117.67 25.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 0.0 110.341 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.2 m -68.59 100.3 1.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 108.311 -179.861 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 12' ' ' MET . 3.6 mmtt -103.26 167.48 10.13 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 143.08 28.88 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.461 1.769 . . . . 0.0 111.06 179.876 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.9 m . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.356 -179.934 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 88.1 m . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.679 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 51.2 tp -90.74 -55.32 3.61 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.949 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.679 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 162.42 99.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.28 -40.96 2.1 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.48 1.112 . . . . 0.0 111.046 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -54.95 155.65 4.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 0.735 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.473 ' HE2' ' HB3' ' A' ' 20' ' ' LYS . 7.7 ptt? -108.05 158.85 17.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 111.043 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.47 ' CD ' ' HA2' ' A' ' 17' ' ' GLY . 5.3 ttt180 -102.53 108.97 20.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.777 HG21 ' HD2' ' A' ' 20' ' ' LYS . 29.7 p -63.98 -156.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.541 1.151 . . . . 0.0 110.409 179.966 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.32 3.87 54.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.399 1.062 . . . . 0.0 109.257 -179.953 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.16 -2.52 9.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.254 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.47 ' HA2' ' CD ' ' A' ' 13' ' ' ARG . . . 92.16 -11.72 71.41 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 -179.941 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.751 ' O ' HG23 ' A' ' 14' ' ' THR . 5.9 mmt85 -54.54 112.73 1.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 0.779 . . . . 0.0 110.298 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 12' ' ' MET . 93.2 m -69.22 95.1 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 108.277 -179.952 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.777 ' HD2' HG21 ' A' ' 14' ' ' THR . 3.0 mttt -91.91 167.21 15.74 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 144.42 30.29 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.373 1.723 . . . . 0.0 110.954 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.445 ' O ' HG22 ' A' ' 22' ' ' THR . 51.1 m . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.38 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 92.7 m . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.68 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 56.7 tp -85.59 -55.83 3.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.943 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.68 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.96 104.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.82 -34.46 4.98 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.511 1.132 . . . . 0.0 110.964 179.924 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -64.01 157.72 24.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 0.743 . . . . 0.0 110.981 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 20' ' ' LYS . 6.7 ptt? -112.84 158.53 20.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.959 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.448 ' CG ' ' O ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -102.05 105.65 16.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 -179.966 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.507 HG21 ' HD3' ' A' ' 20' ' ' LYS . 3.2 p -60.56 -167.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 110.465 179.954 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.42 3.96 22.66 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.564 1.165 . . . . 0.0 109.258 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.52 -16.49 11.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.92 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.71 -6.69 60.75 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.547 1.154 . . . . 0.0 110.938 179.916 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.7 mtp85 -67.42 110.64 3.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 0.771 . . . . 0.0 110.277 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.409 ' HA ' ' O ' ' A' ' 12' ' ' MET . 94.0 m -61.96 106.3 0.69 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 108.227 -179.962 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.507 ' HD3' HG21 ' A' ' 14' ' ' THR . 0.0 OUTLIER -108.64 168.19 8.14 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 -179.973 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 142.77 28.53 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.516 1.798 . . . . 0.0 111.044 179.852 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.506 ' O ' ' CG2' ' A' ' 22' ' ' THR . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.42 1.075 . . . . 0.0 110.354 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 88.4 m . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.686 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 54.7 tp -79.98 -55.63 4.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.686 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.91 100.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.95 -39.11 2.77 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -57.56 157.08 7.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 0.77 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.411 ' O ' ' HA ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -112.63 166.3 11.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 110.969 -179.995 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.65 107.88 19.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 110.282 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.546 HG21 ' HD2' ' A' ' 20' ' ' LYS . 42.9 p -62.1 -153.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 0.0 110.442 179.914 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -100.88 9.77 41.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -114.5 -17.6 11.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.6 2.68 57.49 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.473 1.108 . . . . 0.0 110.97 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.498 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 8.1 ptm180 -85.55 118.71 25.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 0.776 . . . . 0.0 110.301 -179.945 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 12' ' ' MET . 89.6 m -61.71 107.37 0.81 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 108.34 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.546 ' HD2' HG21 ' A' ' 14' ' ' THR . 1.1 mttm -101.11 168.35 9.33 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 145.69 32.0 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.446 1.761 . . . . 0.0 111.013 -179.952 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.503 ' O ' HG22 ' A' ' 22' ' ' THR . 15.6 m . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 110.434 179.981 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 54.6 m . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.712 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 31.7 tp -79.32 -57.78 3.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.712 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.26 88.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.35 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.16 -36.92 2.3 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.526 1.141 . . . . 0.0 111.028 -179.933 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.402 ' HE1' HD23 ' A' ' 8' ' ' LEU . 88.1 m-85 -56.65 157.29 5.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 0.736 . . . . 0.0 111.022 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.408 ' N ' ' O ' ' A' ' 20' ' ' LYS . 5.4 ptt? -109.24 160.07 16.42 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.104 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -98.23 105.24 17.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 179.97 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.408 ' CG2' ' HB2' ' A' ' 20' ' ' LYS . 64.7 p -64.97 -162.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.381 179.95 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.93 21.34 4.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.348 179.92 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -129.98 6.45 5.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 73.41 9.18 77.26 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.521 1.138 . . . . 0.0 110.959 -179.985 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.89 -170.25 1.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 0.77 . . . . 0.0 110.331 -179.954 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 87.2 m -133.39 93.7 3.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 108.308 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.408 ' HB2' ' CG2' ' A' ' 14' ' ' THR . 8.7 mptt -92.62 167.0 15.53 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 142.18 27.39 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.467 1.772 . . . . 0.0 111.007 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.0 m . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.342 -179.996 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 61.2 m . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.698 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 56.3 tp -81.4 -56.33 4.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.353 179.961 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.698 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.25 95.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 121.89 -33.76 4.13 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 179.959 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.515 ' HE2' HD23 ' A' ' 8' ' ' LEU . 82.5 m-85 -64.96 154.96 36.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.55 0.794 . . . . 0.0 110.952 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.404 ' N ' ' O ' ' A' ' 20' ' ' LYS . 6.9 ptt? -115.65 162.29 17.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 111.047 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -100.2 103.8 15.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 110.301 -179.94 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.472 ' CG2' ' HB2' ' A' ' 20' ' ' LYS . 32.7 p -58.96 -154.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.381 -179.898 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -98.81 9.64 42.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -114.52 -17.33 11.74 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.505 1.128 . . . . 0.0 109.247 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 97.69 3.69 58.24 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 -179.885 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.496 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 11.8 ptm180 -87.26 119.98 28.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 0.771 . . . . 0.0 110.322 179.945 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 87.9 m -63.66 105.96 0.89 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 108.319 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.472 ' HB2' ' CG2' ' A' ' 14' ' ' THR . 0.3 OUTLIER -103.52 173.43 3.44 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 -179.924 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 144.34 30.32 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.486 1.782 . . . . 0.0 111.028 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.2 m . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 110.39 179.99 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 13.2 p30 173.07 133.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -149.23 90.39 1.74 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 111.028 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -107.17 57.74 0.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.431 ' O ' ' NH2' ' A' ' 13' ' ' ARG . . . 110.77 -40.59 2.5 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.547 1.155 . . . . 0.0 111.012 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 125.04 51.59 0.18 Allowed Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 31.3 m -121.06 -179.97 4.2 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.712 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 7.8 tp -80.62 -55.48 4.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 109.354 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.712 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.49 97.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.408 ' O ' ' OG1' ' A' ' 22' ' ' THR . . . 118.35 -34.11 4.56 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.418 1.073 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -65.81 157.09 31.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.459 0.741 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -116.5 161.59 18.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.431 ' NH2' ' O ' ' A' ' 5' ' ' GLY . 1.1 mmm180 -98.85 103.37 15.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.103 . . . . 0.0 110.302 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.413 HG21 ' CD ' ' A' ' 20' ' ' LYS . 7.7 p -64.35 -167.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 110.416 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.38 8.25 19.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.581 1.175 . . . . 0.0 109.276 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -114.34 -18.59 11.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 95.87 2.9 60.94 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.453 1.096 . . . . 0.0 110.957 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.3 mtt-85 -84.35 112.64 20.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.561 0.801 . . . . 0.0 110.288 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.6 m -58.57 99.81 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 108.306 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.413 ' CD ' HG21 ' A' ' 14' ' ' THR . 8.3 mttp -98.47 172.57 4.65 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.433 1.083 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.562 ' HB2' ' CD2' ' A' ' 23' ' ' PHE . 18.2 Cg_endo -75.07 143.15 28.5 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.464 1.771 . . . . 0.0 110.972 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 10' ' ' GLY . 9.8 m -107.68 8.08 28.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.406 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.562 ' CD2' ' HB2' ' A' ' 21' ' ' PRO . 11.8 m-85 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.417 1.073 . . . . 0.0 111.029 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 43.7 p-10 -174.49 164.72 3.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -150.82 100.45 2.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 111.018 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -152.94 46.02 0.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 109.334 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.58 ' CA ' HH21 ' A' ' 13' ' ' ARG . . . 106.06 -38.09 3.48 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.551 1.157 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 132.56 50.68 0.09 OUTLIER Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 85.5 m -107.86 -179.59 3.95 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.689 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 17.1 tp -85.0 -55.88 3.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.689 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.61 97.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 120.16 -35.86 3.63 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.451 1.094 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -62.55 155.8 24.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 0.744 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.425 ' N ' ' O ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -114.17 165.02 13.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 110.974 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.58 HH21 ' CA ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -102.92 105.09 15.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.33 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.627 HG21 ' HG3' ' A' ' 20' ' ' LYS . 66.8 p -62.34 -158.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.45 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.38 9.52 39.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -114.99 -17.12 11.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.421 1.076 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 95.54 3.11 61.34 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.0 mtt85 -86.28 113.02 21.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 0.751 . . . . 0.0 110.307 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 94.9 m -54.36 103.54 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 108.281 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.627 ' HG3' HG21 ' A' ' 14' ' ' THR . 0.2 OUTLIER -96.94 166.38 14.01 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.551 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 18.3 Cg_endo -75.0 143.83 29.51 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.48 1.779 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.1 m -112.2 7.73 19.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 110.343 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.551 ' CE2' ' HB3' ' A' ' 21' ' ' PRO . 5.5 p90 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.574 1.171 . . . . 0.0 111.019 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 23.9 p-10 -89.09 153.81 20.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 109.343 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -146.57 -46.85 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -178.09 46.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 105.82 -38.05 3.5 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.549 1.156 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 133.42 53.44 0.08 OUTLIER Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 63.2 m -107.22 177.29 4.89 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.699 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 50.3 tp -80.13 -56.82 3.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.699 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.28 92.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.407 ' O ' ' CB ' ' A' ' 22' ' ' THR . . . 125.19 -39.49 2.07 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.479 1.112 . . . . 0.0 111.098 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.434 ' HE2' HD23 ' A' ' 8' ' ' LEU . 84.9 m-85 -53.36 156.79 2.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 0.772 . . . . 0.0 111.02 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.463 ' HE2' ' HB3' ' A' ' 20' ' ' LYS . 1.8 ptt? -108.4 158.53 17.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 111.067 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.98 105.52 17.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.307 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.496 HG23 ' HB2' ' A' ' 20' ' ' LYS . 5.0 p -59.87 -168.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.391 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.55 -0.97 39.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.72 -4.72 9.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 97.86 -15.68 61.38 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.0 mtt-85 -49.52 110.08 0.34 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 0.801 . . . . 0.0 110.282 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 84.9 m -61.9 90.09 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.087 . . . . 0.0 108.35 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.496 ' HB2' HG23 ' A' ' 14' ' ' THR . 10.9 mttt -84.27 168.07 23.7 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.553 ' HB3' ' CZ ' ' A' ' 23' ' ' PHE . 18.1 Cg_endo -75.04 144.44 30.11 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.569 1.826 . . . . 0.0 110.931 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.407 ' CB ' ' O ' ' A' ' 10' ' ' GLY . 39.7 m -110.87 8.27 22.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.37 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.553 ' CZ ' ' HB3' ' A' ' 21' ' ' PRO . 4.1 p90 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.997 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.448 ' CB ' ' HA2' ' A' ' 6' ' ' GLY . 52.1 m-20 -89.95 139.68 30.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 109.362 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -141.89 -51.75 0.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 110.967 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -108.42 55.07 0.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 109.39 -39.8 2.78 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.563 1.164 . . . . 0.0 110.941 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.448 ' HA2' ' CB ' ' A' ' 2' ' ' ASN . . . 117.77 58.25 0.29 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 92.8 m -101.72 178.77 4.53 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.698 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 56.9 tp -85.31 -55.87 3.81 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.569 1.168 . . . . 0.0 109.366 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.698 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.74 98.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.265 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.28 -39.33 2.55 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.489 1.118 . . . . 0.0 110.961 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -55.73 156.36 5.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.765 . . . . 0.0 110.96 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.432 ' N ' ' O ' ' A' ' 20' ' ' LYS . 0.6 OUTLIER -111.57 155.29 23.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 111.069 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.414 ' O ' ' CG ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -97.78 104.2 16.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.261 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 35.9 p -55.73 -164.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.365 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.19 2.95 25.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -121.22 -3.95 9.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.105 . . . . 0.0 109.315 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.0 -14.03 66.15 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.504 1.128 . . . . 0.0 111.014 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.4 mtt180 -52.31 111.86 0.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 0.759 . . . . 0.0 110.294 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 94.0 m -65.5 90.09 0.11 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 108.276 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 12' ' ' MET . 8.2 mttt -89.48 168.15 15.81 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.52 1.138 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.561 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 18.3 Cg_endo -74.94 145.03 31.21 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.509 1.794 . . . . 0.0 111.011 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.5 m -105.29 7.86 33.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 0.0 110.39 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.561 ' CE2' ' HB3' ' A' ' 21' ' ' PRO . 4.7 p90 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.424 1.078 . . . . 0.0 110.953 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 42.3 m-20 -79.61 148.05 31.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 17.2 p90 -62.76 130.45 44.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 111.066 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -108.91 58.62 0.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 109.359 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.719 ' CA ' HH21 ' A' ' 13' ' ' ARG . . . 111.31 -40.88 2.39 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.46 1.1 . . . . 0.0 110.971 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 150.81 50.55 0.02 OUTLIER Glycine 0 CA--C 1.529 0.912 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 58.7 m -115.05 172.31 7.13 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.704 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 50.8 tp -73.73 -56.74 4.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.704 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.19 95.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.84 -37.84 2.98 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.504 1.127 . . . . 0.0 110.991 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.461 ' HE1' HD23 ' A' ' 8' ' ' LEU . 80.2 m-85 -55.77 157.55 4.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 0.766 . . . . 0.0 110.938 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.414 ' N ' ' O ' ' A' ' 20' ' ' LYS . 9.7 ptt? -112.19 162.48 15.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.082 . . . . 0.0 111.013 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.719 HH21 ' CA ' ' A' ' 5' ' ' GLY . 1.0 OUTLIER -103.18 105.17 15.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.317 179.906 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.706 HG21 ' HG3' ' A' ' 20' ' ' LYS . 70.3 p -63.88 -165.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 0.0 110.415 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.62 8.52 28.01 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -114.35 -19.86 11.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.88 0.31 57.53 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -81.68 111.44 17.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 110.256 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 91.1 m -55.03 98.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 108.28 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.706 ' HG3' HG21 ' A' ' 14' ' ' THR . 0.4 OUTLIER -92.08 165.79 19.16 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.569 ' HB2' ' CD2' ' A' ' 23' ' ' PHE . 18.1 Cg_endo -75.04 145.74 31.67 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.496 1.787 . . . . 0.0 110.995 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.1 m -100.88 8.1 43.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.36 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.569 ' CD2' ' HB2' ' A' ' 21' ' ' PRO . 11.9 m-30 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -69.0 146.66 52.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 109.281 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -169.42 92.83 0.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.979 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -106.27 57.35 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 110.65 -40.51 2.52 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 125.2 56.15 0.17 Allowed Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 72.4 m -98.27 178.43 5.06 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.683 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 33.4 tp -88.44 -55.49 3.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.683 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.95 105.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.604 1.19 . . . . 0.0 109.264 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.02 -35.24 4.68 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.486 1.116 . . . . 0.0 110.944 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -62.19 155.98 23.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 0.783 . . . . 0.0 110.963 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.409 ' O ' ' HA ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -112.48 157.81 20.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.464 ' CG ' ' O ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -100.11 106.8 18.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.293 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.641 HG23 ' O ' ' A' ' 18' ' ' ARG . 33.1 p -58.83 -153.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.579 1.174 . . . . 0.0 110.386 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -94.27 3.38 55.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.49 -8.66 10.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.249 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 96.45 -7.71 66.24 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.641 ' O ' HG23 ' A' ' 14' ' ' THR . 0.0 OUTLIER -61.65 110.44 1.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 0.726 . . . . 0.0 110.31 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.409 ' HA ' ' O ' ' A' ' 12' ' ' MET . 99.7 m -65.12 95.12 0.16 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.453 1.096 . . . . 0.0 108.3 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.617 ' HD2' HG21 ' A' ' 14' ' ' THR . 4.0 mttt -94.91 172.64 5.25 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.562 ' HB3' ' CZ ' ' A' ' 23' ' ' PHE . 18.1 Cg_endo -75.03 146.32 32.38 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.463 1.77 . . . . 0.0 110.964 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.5 m -109.94 7.96 24.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.372 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.562 ' CZ ' ' HB3' ' A' ' 21' ' ' PRO . 5.1 p90 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.34 165.15 24.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.36 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.408 ' CE1' ' HA2' ' A' ' 6' ' ' GLY . 0.2 OUTLIER -140.04 174.3 10.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 110.985 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -150.99 49.2 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 103.59 -36.9 4.03 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.453 1.096 . . . . 0.0 111.033 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.408 ' HA2' ' CE1' ' A' ' 3' ' ' PHE . . . 134.23 57.76 0.07 OUTLIER Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 38.4 m -113.1 -179.93 3.78 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.693 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 18.9 tp -86.68 -55.8 3.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.693 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.8 99.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.49 -37.96 2.97 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.435 1.084 . . . . 0.0 111.077 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.404 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 57.9 m-85 -58.57 155.05 13.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 0.729 . . . . 0.0 110.963 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.615 ' HE2' ' HB3' ' A' ' 20' ' ' LYS . 0.9 OUTLIER -109.6 161.32 15.48 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.409 1.068 . . . . 0.0 110.982 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.39 106.14 18.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.482 HG23 ' HB2' ' A' ' 20' ' ' LYS . 3.0 p -63.53 -168.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.438 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.33 -0.79 38.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 109.312 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.24 -2.63 9.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.17 -14.77 64.62 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.535 1.147 . . . . 0.0 110.939 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 43.4 mtt180 -50.39 111.55 0.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 0.742 . . . . 0.0 110.338 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 92.6 m -64.41 94.82 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 108.349 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.615 ' HB3' ' HE2' ' A' ' 12' ' ' MET . 13.4 mttt -94.8 171.72 6.34 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.55 ' HB3' ' CZ ' ' A' ' 23' ' ' PHE . 18.2 Cg_endo -74.94 143.29 29.1 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.499 1.789 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.5 m -112.44 7.61 19.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.387 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.55 ' CZ ' ' HB3' ' A' ' 21' ' ' PRO . 3.5 p90 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 111.037 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -158.32 170.29 22.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -89.92 48.8 1.62 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.5 1.125 . . . . 0.0 111.041 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 178.77 38.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 109.332 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -120.7 39.54 2.4 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.418 1.074 . . . . 0.0 110.977 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -166.71 -53.32 0.03 OUTLIER Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 72.9 m -52.74 175.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.695 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 46.7 tp -80.39 -55.92 4.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.695 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.55 103.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.451 1.094 . . . . 0.0 109.36 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.09 -34.78 4.79 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.49 1.119 . . . . 0.0 110.947 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -62.94 157.28 22.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 0.748 . . . . 0.0 110.971 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.418 ' N ' ' O ' ' A' ' 20' ' ' LYS . 14.3 ptt? -113.94 166.99 11.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -104.09 107.27 18.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 0.0 110.347 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.551 HG21 ' CE ' ' A' ' 20' ' ' LYS . 67.8 p -65.71 -162.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 110.409 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.02 7.56 39.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.09 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -114.22 -19.84 11.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.72 0.43 57.71 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.47 1.107 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.1 mmt-85 -82.0 111.63 18.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 0.756 . . . . 0.0 110.291 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 12' ' ' MET . 89.0 m -54.45 105.49 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 108.3 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.551 ' CE ' HG21 ' A' ' 14' ' ' THR . 4.3 mttt -101.88 170.5 6.35 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.56 ' HB2' ' CD2' ' A' ' 23' ' ' PHE . 18.1 Cg_endo -75.05 145.2 31.0 Favored 'Trans proline' 0 C--N 1.358 1.067 0 O-C-N 124.575 1.829 . . . . 0.0 111.016 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.7 m -106.0 7.95 32.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.422 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.56 ' CD2' ' HB2' ' A' ' 21' ' ' PRO . 11.9 m-85 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.99 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -96.47 163.29 13.11 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -165.49 152.84 10.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.967 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -155.52 41.77 0.42 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 104.47 -37.3 3.85 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.454 1.096 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 158.93 -47.34 0.43 Allowed Glycine 0 CA--C 1.531 1.066 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 91.3 m -53.84 176.11 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.677 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 53.1 tp -82.94 -55.6 4.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.252 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.677 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 162.45 102.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 109.333 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 115.39 -40.26 2.5 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.542 1.151 . . . . 0.0 111.044 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -55.47 158.26 3.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 110.99 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.42 ' O ' ' HA ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -111.77 164.24 13.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 0.0 111.046 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.1 mmt180 -105.25 107.21 18.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.309 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.3 p -65.98 -168.19 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.358 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.9 8.14 21.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.14 -20.68 10.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.59 -0.78 56.81 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.501 1.125 . . . . 0.0 111.01 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -80.38 111.3 16.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 0.76 . . . . 0.0 110.312 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 12' ' ' MET . 98.3 m -56.59 106.02 0.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.597 1.186 . . . . 0.0 108.325 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -103.11 170.19 6.55 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.56 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 18.3 Cg_endo -75.03 145.66 31.59 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.536 1.809 . . . . 0.0 110.985 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.9 m -102.33 7.46 40.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.455 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.56 ' CE2' ' HB3' ' A' ' 21' ' ' PRO . 21.8 p90 . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 7' ' ' CYS . 24.2 m120 -66.36 178.01 1.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -101.18 177.32 4.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 45.2 t30 61.24 42.23 12.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 104.57 -37.33 3.84 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 115.2 50.38 0.46 Allowed Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.494 ' O ' ' CB ' ' A' ' 2' ' ' ASN . 88.9 m -103.52 -178.71 3.74 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.683 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 54.5 tp -87.49 -55.75 3.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.683 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.81 100.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.16 -36.35 3.67 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -61.5 156.65 18.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 0.731 . . . . 0.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.411 ' N ' ' O ' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -113.06 158.21 20.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 111.031 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.419 ' O ' ' CG ' ' A' ' 13' ' ' ARG . 5.1 ppt_? -99.81 105.4 17.16 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.504 1.127 . . . . 0.0 110.324 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 42.7 p -59.78 -164.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.387 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.51 5.07 29.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.591 1.182 . . . . 0.0 109.22 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -117.75 -9.84 10.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.148 . . . . 0.0 109.312 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 93.73 -7.54 74.09 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.461 1.1 . . . . 0.0 110.993 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.32 112.29 3.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 0.764 . . . . 0.0 110.325 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 90.1 m -62.35 101.33 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 108.263 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -99.98 172.77 4.28 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.256 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.567 ' HB2' ' CD2' ' A' ' 23' ' ' PHE . 18.2 Cg_endo -75.04 144.56 30.25 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.502 1.791 . . . . 0.0 110.983 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 23' ' ' PHE . 11.1 m -110.49 8.33 23.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.332 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.567 ' CD2' ' HB2' ' A' ' 21' ' ' PRO . 12.5 m-85 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.543 1.152 . . . . 0.0 111.041 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -81.34 122.9 28.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.337 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.532 ' CG ' ' O ' ' A' ' 3' ' ' PHE . 7.7 p90 -55.87 124.14 16.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 110.997 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -94.15 48.11 1.23 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.472 ' CA ' ' NH2' ' A' ' 13' ' ' ARG . . . 106.61 -38.4 3.34 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.43 1.081 . . . . 0.0 110.938 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 137.99 44.77 0.08 OUTLIER Glycine 0 CA--C 1.531 1.061 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 83.4 m -100.73 -175.23 2.84 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.698 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 49.8 tp -89.38 -55.98 3.44 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.698 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.65 93.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.359 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 124.28 -39.56 2.12 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.452 1.095 . . . . 0.0 111.012 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -57.09 156.15 7.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 0.766 . . . . 0.0 111.036 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.408 ' O ' ' N ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -117.09 159.71 22.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.965 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.472 ' NH2' ' CA ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -97.72 103.11 15.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.532 1.145 . . . . 0.0 110.314 -179.89 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.604 HG23 ' HB2' ' A' ' 20' ' ' LYS . 8.9 p -55.54 -166.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 110.385 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.68 9.41 13.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -114.33 -17.71 11.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.434 ' HA2' ' CG ' ' A' ' 13' ' ' ARG . . . 96.49 3.12 59.93 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.583 1.177 . . . . 0.0 111.025 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.5 mtp180 -86.32 113.07 22.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 0.749 . . . . 0.0 110.313 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 92.2 m -56.85 98.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 108.309 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.604 ' HB2' HG23 ' A' ' 14' ' ' THR . 5.3 mttm -96.38 166.42 14.23 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.265 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.588 ' CB ' ' CZ ' ' A' ' 23' ' ' PHE . 18.4 Cg_endo -74.97 144.14 29.99 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.453 1.765 . . . . 0.0 111.011 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.0 m -83.31 6.77 18.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 110.365 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.588 ' CZ ' ' CB ' ' A' ' 21' ' ' PRO . 8.3 p90 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.407 ' HA ' ' OE1' ' A' ' 1' ' ' GLU . 3.0 tp10 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.3 m120 56.08 168.14 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.429 1.081 . . . . 0.0 109.314 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.54 ' CE1' ' C ' ' A' ' 5' ' ' GLY . 13.4 t80 -119.41 104.57 10.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.998 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -100.85 54.72 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.54 ' C ' ' CE1' ' A' ' 3' ' ' PHE . . . 109.25 -39.86 2.76 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 113.41 56.95 0.41 Allowed Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 57.6 m -97.73 -179.4 4.43 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.695 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 38.2 tp -86.4 -55.64 3.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.695 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.62 98.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 120.04 -37.29 3.14 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.47 1.106 . . . . 0.0 111.07 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -59.87 156.2 14.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 0.775 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -111.29 157.23 20.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.137 . . . . 0.0 110.956 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.8 ttp85 -97.97 104.83 16.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.697 HG23 ' O ' ' A' ' 18' ' ' ARG . 47.2 p -59.3 -151.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.434 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -96.26 1.95 52.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.21 -4.31 9.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.27 -8.2 72.37 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.462 1.101 . . . . 0.0 110.979 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.697 ' O ' HG23 ' A' ' 14' ' ' THR . 2.0 mtt85 -57.86 110.53 0.93 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 0.763 . . . . 0.0 110.344 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 95.6 m -67.23 94.73 0.38 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.107 . . . . 0.0 108.355 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.412 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.4 OUTLIER -96.27 174.73 3.15 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.567 ' HB2' ' CD2' ' A' ' 23' ' ' PHE . 18.3 Cg_endo -74.99 144.37 30.2 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.502 1.791 . . . . 0.0 111.013 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.9 m -109.8 8.25 24.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.407 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.567 ' CD2' ' HB2' ' A' ' 21' ' ' PRO . 12.4 m-85 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.573 1.171 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -151.96 165.1 35.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -104.95 -72.38 0.71 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.586 1.179 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -104.91 42.3 1.23 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 109.26 -35.21 5.06 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.639 1.212 . . . . 0.0 111.009 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -171.33 -71.96 0.04 OUTLIER Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.0 m -54.31 179.4 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.689 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 27.4 tp -83.44 -56.03 3.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.689 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.63 97.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 121.28 -37.94 2.82 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.424 1.078 . . . . 0.0 111.008 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.411 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 56.0 m-85 -58.93 155.32 13.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 0.798 . . . . 0.0 111.02 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.416 ' N ' ' O ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -110.88 162.63 14.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 111.013 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.14 104.11 16.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.48 ' CG2' ' HB2' ' A' ' 20' ' ' LYS . 55.0 p -65.39 -162.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.163 . . . . 0.0 110.401 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.66 22.03 4.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -130.61 7.06 4.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 71.55 10.64 71.28 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.451 1.094 . . . . 0.0 110.959 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.53 -170.28 2.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 0.747 . . . . 0.0 110.295 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 12' ' ' MET . 96.2 m -132.23 94.18 3.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 108.285 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.48 ' HB2' ' CG2' ' A' ' 14' ' ' THR . 8.9 mttp -95.75 172.38 5.34 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.567 ' HB2' ' CD2' ' A' ' 23' ' ' PHE . 18.4 Cg_endo -74.99 142.91 28.46 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.533 1.807 . . . . 0.0 111.031 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.5 m -108.34 8.26 27.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.369 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.567 ' CD2' ' HB2' ' A' ' 21' ' ' PRO . 12.2 m-85 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.584 1.178 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 53.62 174.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -117.3 157.3 26.33 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.468 1.105 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -92.34 36.09 1.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 103.08 -36.45 4.31 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.565 1.165 . . . . 0.0 111.098 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 105.46 60.47 0.63 Allowed Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 84.9 m -103.41 -178.29 3.62 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.689 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 47.0 tp -85.77 -56.14 3.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.689 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.56 95.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 121.89 -35.63 3.48 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.584 1.177 . . . . 0.0 110.995 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -62.99 154.83 29.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.774 . . . . 0.0 110.997 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.418 ' O ' ' N ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -114.98 159.33 20.88 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.424 1.077 . . . . 0.0 110.954 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.432 ' CG ' ' HA2' ' A' ' 17' ' ' GLY . 1.9 tmm_? -100.3 106.2 17.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.294 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.435 HG23 ' HB2' ' A' ' 20' ' ' LYS . 47.3 p -62.13 -163.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.403 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.1 8.75 19.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.3 -14.24 11.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.432 ' HA2' ' CG ' ' A' ' 13' ' ' ARG . . . 94.13 -3.8 70.24 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.528 1.142 . . . . 0.0 111.01 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -75.17 113.45 12.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.552 0.795 . . . . 0.0 110.323 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 12' ' ' MET . 93.1 m -60.75 99.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 108.25 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.435 ' HB2' HG23 ' A' ' 14' ' ' THR . 0.0 OUTLIER -97.18 171.49 5.96 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.567 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 18.3 Cg_endo -74.99 145.28 31.3 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.526 1.803 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.4 ' OG1' ' HG2' ' A' ' 12' ' ' MET . 20.7 m -105.54 8.04 33.17 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.483 1.114 . . . . 0.0 110.416 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.567 ' CE2' ' HB3' ' A' ' 21' ' ' PRO . 5.0 p90 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 110.944 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.404 ' CG ' ' O ' ' A' ' 6' ' ' GLY . 0.5 OUTLIER -54.32 172.01 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.695 ' CD2' HD12 ' A' ' 8' ' ' LEU . 39.6 t80 -40.34 -66.54 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 111.043 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 7' ' ' CYS . 17.3 p30 -98.28 5.69 48.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.34 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 109.22 -21.9 25.94 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.439 1.087 . . . . 0.0 110.958 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.404 ' O ' ' CG ' ' A' ' 2' ' ' ASN . . . -115.82 -73.36 0.53 Allowed Glycine 0 CA--C 1.531 1.069 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.442 ' O ' ' ND2' ' A' ' 4' ' ' ASN . 15.9 m -130.13 178.98 6.15 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.715 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 56.0 tp -73.92 -55.12 6.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.715 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.8 93.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 121.43 -36.05 3.4 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.552 1.158 . . . . 0.0 111.043 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -66.06 152.79 43.9 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.473 0.749 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.431 ' N ' ' O ' ' A' ' 20' ' ' LYS . 3.9 ptt? -111.3 157.13 20.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.75 104.02 16.0 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.456 HG23 ' HB2' ' A' ' 20' ' ' LYS . 7.7 p -64.06 -168.02 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.445 1.091 . . . . 0.0 110.347 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.78 9.03 17.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.165 . . . . 0.0 109.288 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -113.96 -20.96 10.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.29 -1.02 55.95 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.542 1.151 . . . . 0.0 110.975 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -81.86 111.03 17.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.761 . . . . 0.0 110.283 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.7 m -57.85 97.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 108.295 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.456 ' HB2' HG23 ' A' ' 14' ' ' THR . 3.1 mttt -91.33 169.05 12.14 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 23' ' ' PHE . 18.2 Cg_endo -75.02 145.04 30.89 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.448 1.762 . . . . 0.0 110.981 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 23.9 m -108.37 8.01 27.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.444 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.561 ' CZ ' ' HB3' ' A' ' 21' ' ' PRO . 4.9 p90 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.946 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 53.0 m-20 -122.54 137.48 54.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 109.357 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -60.42 162.1 6.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -111.37 49.24 0.89 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 104.68 -37.63 3.69 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.512 1.132 . . . . 0.0 110.961 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 136.38 51.61 0.07 OUTLIER Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.2 m -111.04 178.45 4.34 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.695 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 53.7 tp -84.07 -55.21 4.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.436 1.085 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.695 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 162.32 101.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.56 -40.52 2.36 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.454 1.097 . . . . 0.0 111.053 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.407 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 81.8 m-85 -55.57 154.58 6.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 0.75 . . . . 0.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.7 ptt? -110.68 159.79 17.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 111.023 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.63 106.29 18.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 110.242 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 38.7 p -64.25 -164.97 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.122 . . . . 0.0 110.417 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.94 1.21 44.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.267 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.44 -9.86 10.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.78 -8.04 70.75 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.478 1.111 . . . . 0.0 111.039 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.8 mmt85 -61.9 110.86 1.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 0.777 . . . . 0.0 110.281 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 89.8 m -61.33 99.85 0.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.403 1.065 . . . . 0.0 108.235 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -100.45 174.74 2.76 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.09 . . . . 0.0 109.291 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 23' ' ' PHE . 18.2 Cg_endo -75.07 144.45 30.03 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.52 1.8 . . . . 0.0 111.004 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 28.1 m -112.28 8.14 19.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.446 1.091 . . . . 0.0 110.382 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 21' ' ' PRO . 7.5 p90 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.165 . . . . 0.0 110.936 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 18.0 p-10 -46.72 170.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.391 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -110.21 165.32 11.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 174.59 40.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -112.76 37.91 3.45 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.438 1.086 . . . . 0.0 111.059 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -179.25 -37.07 0.07 OUTLIER Glycine 0 CA--C 1.529 0.941 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 68.4 m -72.14 -176.49 1.8 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.688 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 49.7 tp -93.37 -54.79 3.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.357 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.688 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 162.32 103.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.348 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.99 -36.64 3.83 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.573 1.171 . . . . 0.0 110.988 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -64.19 154.77 33.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.57 0.806 . . . . 0.0 111.076 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.423 ' O ' ' N ' ' A' ' 20' ' ' LYS . 6.3 ptt? -117.98 161.51 19.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.147 . . . . 0.0 111.08 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.444 ' CD ' ' SG ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -99.6 105.51 17.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 110.304 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.452 ' CG2' ' HB2' ' A' ' 20' ' ' LYS . 39.5 p -57.61 -157.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.167 . . . . 0.0 110.465 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.64 9.24 33.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.01 -18.48 11.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.92 0.96 57.33 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.508 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 0.4 OUTLIER -82.89 118.93 23.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 110.323 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.444 ' SG ' ' CD ' ' A' ' 13' ' ' ARG . 94.2 m -63.94 97.56 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 108.32 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.452 ' HB2' ' CG2' ' A' ' 14' ' ' THR . 1.0 OUTLIER -95.8 171.98 5.77 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.256 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.569 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 18.2 Cg_endo -75.08 145.26 30.94 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.517 1.799 . . . . 0.0 110.995 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.9 m -104.62 7.73 35.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.118 . . . . 0.0 110.321 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.569 ' CE2' ' HB3' ' A' ' 21' ' ' PRO . 11.4 p90 . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 110.946 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 57.7 t30 178.23 152.58 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.173 . . . . 0.0 109.296 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -175.24 84.15 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.511 1.132 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -105.57 57.03 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.289 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.403 ' CA ' ' NH2' ' A' ' 13' ' ' ARG . . . 110.49 -40.46 2.54 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.602 1.189 . . . . 0.0 110.962 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 128.04 50.41 0.14 Allowed Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 82.3 m -100.93 178.05 4.78 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.687 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 50.2 tp -81.51 -55.26 4.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.687 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.96 96.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.158 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.64 -42.36 1.78 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.432 1.082 . . . . 0.0 111.031 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -53.67 155.78 2.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 0.727 . . . . 0.0 110.975 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.418 ' O ' ' N ' ' A' ' 20' ' ' LYS . 8.1 ptt? -117.25 161.35 19.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 111.031 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.435 ' CG ' ' HA2' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -100.54 105.68 17.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.09 . . . . 0.0 110.28 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.48 ' CG2' ' HB2' ' A' ' 20' ' ' LYS . 39.4 p -57.44 -159.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.369 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -90.79 9.63 29.36 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.446 1.091 . . . . 0.0 109.258 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.34 -18.05 11.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.435 ' HA2' ' CG ' ' A' ' 13' ' ' ARG . . . 97.49 3.36 58.55 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.463 1.102 . . . . 0.0 111.027 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.501 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 8.7 ptm180 -85.53 118.92 25.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.755 . . . . 0.0 110.277 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 12' ' ' MET . 97.9 m -62.74 100.3 0.19 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.527 1.142 . . . . 0.0 108.295 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.48 ' HB2' ' CG2' ' A' ' 14' ' ' THR . 0.0 OUTLIER -99.17 170.29 7.06 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.421 1.076 . . . . 0.0 109.272 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.579 ' CB ' ' CZ ' ' A' ' 23' ' ' PHE . 18.4 Cg_endo -74.96 144.57 30.55 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.579 1.831 . . . . 0.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.8 m -89.42 7.5 35.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.412 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.579 ' CZ ' ' CB ' ' A' ' 21' ' ' PRO . 8.1 p90 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.3 m120 72.21 153.85 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -89.82 29.92 1.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 111.04 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.411 ' O ' ' OD1' ' A' ' 4' ' ' ASN . 11.3 t-20 -116.7 -2.37 11.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 101.83 -36.33 4.31 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.476 1.11 . . . . 0.0 111.038 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 140.94 73.9 0.04 OUTLIER Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.403 ' SG ' ' OD1' ' A' ' 4' ' ' ASN . 13.3 m -125.66 176.87 6.59 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.702 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 55.8 tp -75.71 -55.56 5.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.702 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.78 97.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.54 -40.49 2.21 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -54.63 154.34 5.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 0.761 . . . . 0.0 110.924 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -109.07 165.15 11.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.96 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.8 106.03 18.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.609 HG23 ' HB2' ' A' ' 20' ' ' LYS . 4.9 p -63.93 -168.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 110.482 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.22 -1.02 38.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.37 -1.22 8.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 93.11 -14.82 64.36 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.508 1.13 . . . . 0.0 110.964 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 57.8 mtt180 -49.82 112.18 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 0.753 . . . . 0.0 110.25 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 12' ' ' MET . 95.2 m -62.17 93.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 108.247 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.609 ' HB2' HG23 ' A' ' 14' ' ' THR . 1.1 mttm -92.0 170.27 9.62 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.548 ' HB3' ' CZ ' ' A' ' 23' ' ' PHE . 18.2 Cg_endo -74.97 143.19 28.87 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.486 1.782 . . . . 0.0 110.983 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.4 m -115.48 7.9 15.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 110.4 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.548 ' CZ ' ' HB3' ' A' ' 21' ' ' PRO . 6.7 p90 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -66.64 167.15 11.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.913 ' CB ' HH21 ' A' ' 13' ' ' ARG . 2.4 t80 -148.11 -51.43 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.994 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.409 ' O ' ' CG ' ' A' ' 4' ' ' ASN . 23.0 t-20 62.49 26.92 16.01 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -113.25 36.55 4.01 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.475 1.109 . . . . 0.0 110.995 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -171.15 -50.38 0.04 OUTLIER Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 93.8 m -51.94 179.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.682 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 52.1 tp -85.5 -55.59 3.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.682 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 162.05 98.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 109.262 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.53 -40.28 2.27 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.474 1.108 . . . . 0.0 111.064 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -55.33 156.64 4.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 0.787 . . . . 0.0 111.053 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.419 ' O ' ' HA ' ' A' ' 19' ' ' CYS . 1.7 ptt? -109.23 161.99 14.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 111.039 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.913 HH21 ' CB ' ' A' ' 3' ' ' PHE . 4.4 mtm180 -105.29 107.04 17.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.9 p -66.28 -168.0 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.434 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.32 7.55 21.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.459 ' OD2' ' CG ' ' A' ' 18' ' ' ARG . 26.1 t70 -114.91 -17.47 11.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 96.89 -2.03 61.64 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.47 1.106 . . . . 0.0 111.025 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.459 ' CG ' ' OD2' ' A' ' 16' ' ' ASP . 16.8 mmt180 -76.58 112.03 12.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 0.796 . . . . 0.0 110.264 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 12' ' ' MET . 96.5 m -59.49 105.87 0.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.085 . . . . 0.0 108.227 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.0 mptt -101.54 168.95 8.34 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.556 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 18.2 Cg_endo -75.11 144.44 29.91 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.499 1.789 . . . . 0.0 110.978 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.513 ' O ' HG22 ' A' ' 22' ' ' THR . 16.9 m -117.22 8.95 13.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.437 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.556 ' CE2' ' HB3' ' A' ' 21' ' ' PRO . 13.6 m-85 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.972 -179.935 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.402 ' HB3' ' CA ' ' A' ' 6' ' ' GLY . 22.5 m120 -142.58 170.19 16.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 109.225 -179.92 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -86.18 -61.04 1.84 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 111.041 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -126.57 50.07 1.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 107.2 -38.83 3.13 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.477 1.11 . . . . 0.0 111.011 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.402 ' CA ' ' HB3' ' A' ' 2' ' ' ASN . . . 111.74 56.52 0.47 Allowed Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 88.5 m -104.08 177.17 4.92 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 179.913 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.68 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 54.9 tp -81.52 -55.57 4.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.55 1.156 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.68 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.96 100.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 179.933 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.57 -39.13 2.79 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.466 1.104 . . . . 0.0 111.025 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.464 ' HE2' HD23 ' A' ' 8' ' ' LEU . 78.2 m-85 -57.63 156.34 8.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 0.736 . . . . 0.0 111.026 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.484 ' CG ' ' OG1' ' A' ' 22' ' ' THR . 19.0 ptt? -115.21 164.03 14.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 111.016 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.44 ' CG ' ' HA2' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -102.88 105.27 15.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 -179.867 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.449 ' CG2' ' HB2' ' A' ' 20' ' ' LYS . 39.3 p -59.76 -157.85 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.414 1.071 . . . . 0.0 110.39 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.69 8.3 37.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.41 -13.18 10.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.282 179.938 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.44 ' HA2' ' CG ' ' A' ' 13' ' ' ARG . . . 92.44 -0.48 71.26 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.45 1.094 . . . . 0.0 110.959 179.919 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.6 mtm180 -78.77 113.64 17.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 0.751 . . . . 0.0 110.281 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 12' ' ' MET . 96.5 m -57.31 106.65 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.173 . . . . 0.0 108.272 -179.94 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.449 ' HB2' ' CG2' ' A' ' 14' ' ' THR . 0.0 OUTLIER -105.85 172.87 3.6 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.137 . . . . 0.0 109.279 179.958 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 144.99 31.05 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.449 1.762 . . . . 0.0 111.06 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.491 ' O ' ' CG2' ' A' ' 22' ' ' THR . 0.9 OUTLIER -129.15 4.47 5.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 110.41 -179.994 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.7 p90 . . . . . 0 C--N 1.326 -0.426 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 179.963 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 64.4 t30 178.68 162.33 0.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.079 . . . . 0.0 109.405 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -105.15 -63.78 1.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 110.993 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 46.3 t30 176.8 43.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 104.92 -37.53 3.75 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.519 1.137 . . . . 0.0 111.072 -179.93 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 121.22 47.25 0.31 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 88.6 m -104.66 -176.16 3.0 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.925 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.686 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 53.3 tp -87.33 -55.66 3.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.335 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.686 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.87 97.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.58 1.175 . . . . 0.0 109.256 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.89 -32.6 4.9 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.488 1.117 . . . . 0.0 110.977 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -70.76 152.88 43.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 0.755 . . . . 0.0 110.924 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.42 ' O ' ' N ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -118.6 162.45 18.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 111.006 179.98 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.457 ' CG ' ' HA2' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -98.66 106.94 19.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.285 179.993 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.43 ' CG2' ' HB2' ' A' ' 20' ' ' LYS . 68.9 p -58.58 -153.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 110.438 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.05 9.69 38.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -114.69 -18.24 11.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.921 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.457 ' HA2' ' CG ' ' A' ' 13' ' ' ARG . . . 98.62 2.23 57.53 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.444 1.09 . . . . 0.0 110.975 179.937 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.792 HH21 ' CE ' ' A' ' 20' ' ' LYS . 1.8 ptt180 -85.14 119.39 25.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 0.751 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 87.8 m -62.9 98.43 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 108.314 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.792 ' CE ' HH21 ' A' ' 18' ' ' ARG . 0.1 OUTLIER -93.7 167.13 14.43 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.941 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 23' ' ' PHE . 18.4 Cg_endo -75.05 142.12 27.32 Favored 'Trans proline' 0 C--N 1.358 1.075 0 O-C-N 124.505 1.792 . . . . 0.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.4 m -104.7 7.56 34.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 110.407 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 21' ' ' PRO . 4.9 p90 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -134.0 14.52 3.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -106.81 171.69 7.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 111.026 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -100.83 54.82 0.86 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.431 1.082 . . . . 0.0 109.328 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.713 ' CA ' HH21 ' A' ' 13' ' ' ARG . . . 109.42 -39.83 2.77 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.527 1.142 . . . . 0.0 111.028 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 132.84 54.81 0.08 OUTLIER Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 62.0 m -112.74 179.75 3.89 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.689 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 46.6 tp -82.01 -55.74 4.39 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 109.257 179.954 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.689 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.54 95.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.401 1.063 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 121.39 -37.99 2.79 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.495 1.122 . . . . 0.0 111.044 -179.937 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.452 ' HE2' HD23 ' A' ' 8' ' ' LEU . 87.4 m-85 -59.16 154.68 15.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 0.766 . . . . 0.0 111.038 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.411 ' N ' ' O ' ' A' ' 20' ' ' LYS . 8.1 ptt? -112.73 161.76 16.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 111.021 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.713 HH21 ' CA ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -102.34 104.33 14.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.285 -179.944 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.475 ' CG2' ' HB2' ' A' ' 20' ' ' LYS . 29.7 p -63.58 -164.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 110.35 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.21 10.1 23.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.251 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.2 -19.75 11.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 97.13 1.93 59.39 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.547 1.155 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.9 mtm180 -85.59 112.37 20.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 0.777 . . . . 0.0 110.305 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 98.1 m -54.85 102.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 108.343 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.475 ' HB2' ' CG2' ' A' ' 14' ' ' THR . 18.2 mttt -96.11 168.24 11.02 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.132 . . . . 0.0 109.319 179.895 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.562 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 18.2 Cg_endo -74.96 144.5 30.47 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.495 1.787 . . . . 0.0 111.065 179.857 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.3 m -114.75 7.23 15.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.595 1.184 . . . . 0.0 110.395 -179.928 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.562 ' CE2' ' HB3' ' A' ' 21' ' ' PRO . 12.7 p90 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 111.032 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.8 m120 56.65 170.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.43 1.081 . . . . 0.0 109.292 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.644 ' CE1' ' NH2' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -92.48 163.58 13.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 111.059 179.994 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 172.8 40.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -116.01 38.66 2.98 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.466 1.104 . . . . 0.0 111.04 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -177.52 -51.49 0.07 OUTLIER Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 87.1 m -53.95 -179.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.701 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 57.2 tp -85.5 -56.32 3.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.701 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.03 96.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 121.83 -33.36 4.28 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.59 1.182 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -65.85 158.54 27.61 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.518 0.775 . . . . 0.0 111.034 179.955 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.417 ' O ' ' HA ' ' A' ' 19' ' ' CYS . 6.4 ptt? -114.34 161.11 18.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.972 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.644 ' NH2' ' CE1' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -102.99 106.9 17.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 179.957 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.489 HG23 ' O ' ' A' ' 18' ' ' ARG . 32.9 p -59.03 -153.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.388 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.11 4.98 53.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -116.61 -11.92 10.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.259 -179.932 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.418 ' HA2' ' CG ' ' A' ' 13' ' ' ARG . . . 96.23 -4.38 64.79 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.483 1.114 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.489 ' O ' HG23 ' A' ' 14' ' ' THR . 3.1 mtp85 -69.28 112.13 5.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 0.791 . . . . 0.0 110.3 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 12' ' ' MET . 85.4 m -62.44 100.36 0.18 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.472 1.107 . . . . 0.0 108.258 -179.91 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.466 ' HD3' HG21 ' A' ' 14' ' ' THR . 0.9 OUTLIER -98.18 164.6 16.93 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 179.932 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.43 ' CD ' ' HG3' ' A' ' 20' ' ' LYS . 18.1 Cg_endo -75.02 142.46 27.8 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.402 1.738 . . . . 0.0 111.009 179.917 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.497 ' O ' ' CG2' ' A' ' 22' ' ' THR . 0.9 OUTLIER -132.41 5.73 4.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.413 -179.961 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.2 p90 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.952 -179.975 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -98.23 162.79 13.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -108.35 99.12 8.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 171.44 41.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -123.65 40.43 1.97 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -169.39 -57.32 0.03 OUTLIER Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.5 m -55.45 -174.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.674 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 41.6 tp -96.41 -53.56 3.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.359 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.674 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 164.46 117.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.275 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.32 13.34 58.75 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.454 1.096 . . . . 0.0 110.991 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.43 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 26.1 m-85 -125.33 149.24 48.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 0.75 . . . . 0.0 111.045 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 20' ' ' LYS . 1.1 ptt? -118.44 157.63 26.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 111.017 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -94.67 102.48 14.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.26 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.404 ' H ' HG23 ' A' ' 14' ' ' THR . 35.9 p -58.95 -153.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.607 1.192 . . . . 0.0 110.402 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -99.71 9.31 43.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -114.23 -17.54 11.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.39 3.42 57.56 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.483 1.114 . . . . 0.0 110.996 179.874 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.494 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 16.0 ptt180 -86.9 117.67 25.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 0.0 110.341 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.2 m -68.59 100.3 1.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 108.311 -179.861 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 12' ' ' MET . 3.6 mmtt -103.26 167.48 10.13 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.544 ' CB ' ' CZ ' ' A' ' 23' ' ' PHE . 18.6 Cg_endo -74.93 143.08 28.88 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.461 1.769 . . . . 0.0 111.06 179.876 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.9 m -81.98 6.61 15.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.356 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.544 ' CZ ' ' CB ' ' A' ' 21' ' ' PRO . 8.1 p90 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 111.019 179.93 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -51.72 132.66 31.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.092 . . . . 0.0 109.279 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -174.33 128.37 0.35 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 110.99 179.948 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -153.33 46.74 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.315 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 105.95 -38.16 3.45 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 134.88 52.0 0.07 OUTLIER Glycine 0 CA--C 1.53 1.031 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 88.1 m -104.71 -177.37 3.34 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.679 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 51.2 tp -90.74 -55.32 3.61 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.949 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.679 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 162.42 99.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.28 -40.96 2.1 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.48 1.112 . . . . 0.0 111.046 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -54.95 155.65 4.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 0.735 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.473 ' HE2' ' HB3' ' A' ' 20' ' ' LYS . 7.7 ptt? -108.05 158.85 17.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 111.043 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.47 ' CD ' ' HA2' ' A' ' 17' ' ' GLY . 5.3 ttt180 -102.53 108.97 20.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.777 HG21 ' HD2' ' A' ' 20' ' ' LYS . 29.7 p -63.98 -156.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.541 1.151 . . . . 0.0 110.409 179.966 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.32 3.87 54.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.399 1.062 . . . . 0.0 109.257 -179.953 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.16 -2.52 9.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.254 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.47 ' HA2' ' CD ' ' A' ' 13' ' ' ARG . . . 92.16 -11.72 71.41 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 -179.941 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.751 ' O ' HG23 ' A' ' 14' ' ' THR . 5.9 mmt85 -54.54 112.73 1.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 0.779 . . . . 0.0 110.298 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 12' ' ' MET . 93.2 m -69.22 95.1 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 108.277 -179.952 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.777 ' HD2' HG21 ' A' ' 14' ' ' THR . 3.0 mttt -91.91 167.21 15.74 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.483 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 18.3 Cg_endo -74.98 144.42 30.29 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.373 1.723 . . . . 0.0 110.954 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.445 ' O ' HG22 ' A' ' 22' ' ' THR . 51.1 m -116.27 8.29 14.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.38 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.483 ' CE2' ' HB3' ' A' ' 21' ' ' PRO . 4.9 p90 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 179.937 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.259 -0.275 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -122.19 140.5 52.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.938 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -58.51 178.73 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.583 1.177 . . . . 0.0 110.998 180.0 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -151.09 45.4 0.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 105.83 -38.02 3.52 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.56 1.162 . . . . 0.0 110.97 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 127.55 54.0 0.13 Allowed Glycine 0 CA--C 1.531 1.059 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 92.7 m -102.5 178.26 4.63 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.68 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 56.7 tp -85.59 -55.83 3.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.943 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.68 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.96 104.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.82 -34.46 4.98 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.511 1.132 . . . . 0.0 110.964 179.924 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -64.01 157.72 24.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 0.743 . . . . 0.0 110.981 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 20' ' ' LYS . 6.7 ptt? -112.84 158.53 20.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.959 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.448 ' CG ' ' O ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -102.05 105.65 16.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 -179.966 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.507 HG21 ' HD3' ' A' ' 20' ' ' LYS . 3.2 p -60.56 -167.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 110.465 179.954 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.42 3.96 22.66 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.564 1.165 . . . . 0.0 109.258 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.52 -16.49 11.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.92 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.71 -6.69 60.75 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.547 1.154 . . . . 0.0 110.938 179.916 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.7 mtp85 -67.42 110.64 3.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 0.771 . . . . 0.0 110.277 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.409 ' HA ' ' O ' ' A' ' 12' ' ' MET . 94.0 m -61.96 106.3 0.69 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 108.227 -179.962 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.507 ' HD3' HG21 ' A' ' 14' ' ' THR . 0.0 OUTLIER -108.64 168.19 8.14 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 -179.973 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 142.77 28.53 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.516 1.798 . . . . 0.0 111.044 179.852 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.506 ' O ' ' CG2' ' A' ' 22' ' ' THR . 0.8 OUTLIER -130.83 4.31 4.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.42 1.075 . . . . 0.0 110.354 -179.997 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.6 p90 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.959 -179.993 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -162.38 133.05 4.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 63.2 t80 43.23 92.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.556 1.16 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -107.91 58.25 0.62 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 109.255 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 110.99 -40.69 2.46 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.132 . . . . 0.0 111.047 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -177.19 -66.09 0.06 OUTLIER Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 88.4 m -50.58 175.08 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.686 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 54.7 tp -79.98 -55.63 4.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.686 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.91 100.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.95 -39.11 2.77 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -57.56 157.08 7.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 0.77 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.411 ' O ' ' HA ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -112.63 166.3 11.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 110.969 -179.995 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.65 107.88 19.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 110.282 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.546 HG21 ' HD2' ' A' ' 20' ' ' LYS . 42.9 p -62.1 -153.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 0.0 110.442 179.914 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -100.88 9.77 41.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -114.5 -17.6 11.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.6 2.68 57.49 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.473 1.108 . . . . 0.0 110.97 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.498 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 8.1 ptm180 -85.55 118.71 25.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 0.776 . . . . 0.0 110.301 -179.945 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 12' ' ' MET . 89.6 m -61.71 107.37 0.81 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 108.34 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.546 ' HD2' HG21 ' A' ' 14' ' ' THR . 1.1 mttm -101.11 168.35 9.33 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.459 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 18.5 Cg_endo -74.94 145.69 32.0 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.446 1.761 . . . . 0.0 111.013 -179.952 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.503 ' O ' HG22 ' A' ' 22' ' ' THR . 15.6 m -117.05 7.89 13.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 110.434 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.459 ' CE2' ' HB3' ' A' ' 21' ' ' PRO . 47.9 p90 . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.587 1.179 . . . . 0.0 110.925 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.402 ' H ' ' NH2' ' A' ' 13' ' ' ARG . 0.9 OUTLIER 65.47 14.63 9.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.283 179.893 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -133.06 -53.5 0.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.977 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 173.7 40.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.108 . . . . 0.0 109.328 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -116.31 38.72 2.94 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -163.42 -51.84 0.02 OUTLIER Glycine 0 CA--C 1.529 0.925 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 54.6 m -54.93 179.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.712 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 31.7 tp -79.32 -57.78 3.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.712 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.26 88.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.35 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.16 -36.92 2.3 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.526 1.141 . . . . 0.0 111.028 -179.933 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.402 ' HE1' HD23 ' A' ' 8' ' ' LEU . 88.1 m-85 -56.65 157.29 5.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 0.736 . . . . 0.0 111.022 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.408 ' N ' ' O ' ' A' ' 20' ' ' LYS . 5.4 ptt? -109.24 160.07 16.42 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.104 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.402 ' NH2' ' H ' ' A' ' 2' ' ' ASN . 4.7 mtt180 -98.23 105.24 17.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.408 ' CG2' ' HB2' ' A' ' 20' ' ' LYS . 64.7 p -64.97 -162.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.381 179.95 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.93 21.34 4.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.348 179.92 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -129.98 6.45 5.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 73.41 9.18 77.26 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.521 1.138 . . . . 0.0 110.959 -179.985 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.89 -170.25 1.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 0.77 . . . . 0.0 110.331 -179.954 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 87.2 m -133.39 93.7 3.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 108.308 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.408 ' HB2' ' CG2' ' A' ' 14' ' ' THR . 8.7 mptt -92.62 167.0 15.53 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.569 ' HB2' ' CD2' ' A' ' 23' ' ' PHE . 18.2 Cg_endo -75.05 142.18 27.39 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.467 1.772 . . . . 0.0 111.007 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.0 m -101.66 8.11 41.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.342 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.569 ' CD2' ' HB2' ' A' ' 21' ' ' PRO . 11.3 m-85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 111.075 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -105.51 14.56 28.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -87.56 128.41 35.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.097 . . . . 0.0 111.016 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -93.74 44.18 1.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 109.304 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 105.21 -37.75 3.65 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.56 1.163 . . . . 0.0 111.014 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 139.38 56.7 0.04 OUTLIER Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.976 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 61.2 m -110.93 179.93 3.91 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.972 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.698 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 56.3 tp -81.4 -56.33 4.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.353 179.961 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.698 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.25 95.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 121.89 -33.76 4.13 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 179.959 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.515 ' HE2' HD23 ' A' ' 8' ' ' LEU . 82.5 m-85 -64.96 154.96 36.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.55 0.794 . . . . 0.0 110.952 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.404 ' N ' ' O ' ' A' ' 20' ' ' LYS . 6.9 ptt? -115.65 162.29 17.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 111.047 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -100.2 103.8 15.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 110.301 -179.94 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.472 ' CG2' ' HB2' ' A' ' 20' ' ' LYS . 32.7 p -58.96 -154.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.381 -179.898 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -98.81 9.64 42.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -114.52 -17.33 11.74 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.505 1.128 . . . . 0.0 109.247 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 97.69 3.69 58.24 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 -179.885 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.496 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 11.8 ptm180 -87.26 119.98 28.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 0.771 . . . . 0.0 110.322 179.945 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 87.9 m -63.66 105.96 0.89 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 108.319 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.472 ' HB2' ' CG2' ' A' ' 14' ' ' THR . 0.3 OUTLIER -103.52 173.43 3.44 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 -179.924 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.509 ' HB2' ' CD2' ' A' ' 23' ' ' PHE . 18.4 Cg_endo -74.95 144.34 30.32 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.486 1.782 . . . . 0.0 111.028 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 23' ' ' PHE . 16.2 m -108.87 8.25 26.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 110.39 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.509 ' CD2' ' HB2' ' A' ' 21' ' ' PRO . 11.3 m-85 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.958 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 31.3 m . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.712 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 7.8 tp -80.62 -55.48 4.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 109.354 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.712 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.49 97.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.408 ' O ' ' OG1' ' A' ' 22' ' ' THR . . . 118.35 -34.11 4.56 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.418 1.073 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -65.81 157.09 31.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.459 0.741 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -116.5 161.59 18.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.1 mmm180 -98.85 103.37 15.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.103 . . . . 0.0 110.302 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.413 HG21 ' CD ' ' A' ' 20' ' ' LYS . 7.7 p -64.35 -167.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 110.416 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.38 8.25 19.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.581 1.175 . . . . 0.0 109.276 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -114.34 -18.59 11.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 95.87 2.9 60.94 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.453 1.096 . . . . 0.0 110.957 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.3 mtt-85 -84.35 112.64 20.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.561 0.801 . . . . 0.0 110.288 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.6 m -58.57 99.81 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 108.306 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.413 ' CD ' HG21 ' A' ' 14' ' ' THR . 8.3 mttp -98.47 172.57 4.65 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.433 1.083 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 143.15 28.5 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.464 1.771 . . . . 0.0 110.972 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 10' ' ' GLY . 9.8 m . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.406 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 85.5 m . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.689 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 17.1 tp -85.0 -55.88 3.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.689 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.61 97.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 120.16 -35.86 3.63 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.451 1.094 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -62.55 155.8 24.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 0.744 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.425 ' N ' ' O ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -114.17 165.02 13.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 110.974 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.92 105.09 15.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.33 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.627 HG21 ' HG3' ' A' ' 20' ' ' LYS . 66.8 p -62.34 -158.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.45 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.38 9.52 39.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -114.99 -17.12 11.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.421 1.076 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 95.54 3.11 61.34 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.0 mtt85 -86.28 113.02 21.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 0.751 . . . . 0.0 110.307 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 94.9 m -54.36 103.54 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 108.281 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.627 ' HG3' HG21 ' A' ' 14' ' ' THR . 0.2 OUTLIER -96.94 166.38 14.01 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 143.83 29.51 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.48 1.779 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.1 m . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 110.343 -179.938 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 63.2 m . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.699 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 50.3 tp -80.13 -56.82 3.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.699 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.28 92.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.407 ' O ' ' CB ' ' A' ' 22' ' ' THR . . . 125.19 -39.49 2.07 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.479 1.112 . . . . 0.0 111.098 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.434 ' HE2' HD23 ' A' ' 8' ' ' LEU . 84.9 m-85 -53.36 156.79 2.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 0.772 . . . . 0.0 111.02 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.463 ' HE2' ' HB3' ' A' ' 20' ' ' LYS . 1.8 ptt? -108.4 158.53 17.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 111.067 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.98 105.52 17.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.307 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.496 HG23 ' HB2' ' A' ' 20' ' ' LYS . 5.0 p -59.87 -168.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.391 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.55 -0.97 39.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.72 -4.72 9.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 97.86 -15.68 61.38 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.0 mtt-85 -49.52 110.08 0.34 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 0.801 . . . . 0.0 110.282 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 84.9 m -61.9 90.09 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.087 . . . . 0.0 108.35 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.496 ' HB2' HG23 ' A' ' 14' ' ' THR . 10.9 mttt -84.27 168.07 23.7 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 144.44 30.11 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.569 1.826 . . . . 0.0 110.931 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.407 ' CB ' ' O ' ' A' ' 10' ' ' GLY . 39.7 m . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.37 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 92.8 m . . . . . 0 N--CA 1.454 -0.241 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.698 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 56.9 tp -85.31 -55.87 3.81 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.569 1.168 . . . . 0.0 109.366 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.698 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.74 98.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.265 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.28 -39.33 2.55 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.489 1.118 . . . . 0.0 110.961 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -55.73 156.36 5.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.765 . . . . 0.0 110.96 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.432 ' N ' ' O ' ' A' ' 20' ' ' LYS . 0.6 OUTLIER -111.57 155.29 23.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 111.069 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.414 ' O ' ' CG ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -97.78 104.2 16.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.261 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 35.9 p -55.73 -164.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.365 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.19 2.95 25.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -121.22 -3.95 9.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.105 . . . . 0.0 109.315 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.0 -14.03 66.15 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.504 1.128 . . . . 0.0 111.014 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.4 mtt180 -52.31 111.86 0.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 0.759 . . . . 0.0 110.294 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 94.0 m -65.5 90.09 0.11 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 108.276 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 12' ' ' MET . 8.2 mttt -89.48 168.15 15.81 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.52 1.138 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 145.03 31.21 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.509 1.794 . . . . 0.0 111.011 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.5 m . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 0.0 110.39 -179.995 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 58.7 m . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.704 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 50.8 tp -73.73 -56.74 4.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.704 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.19 95.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.84 -37.84 2.98 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.504 1.127 . . . . 0.0 110.991 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.461 ' HE1' HD23 ' A' ' 8' ' ' LEU . 80.2 m-85 -55.77 157.55 4.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 0.766 . . . . 0.0 110.938 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.414 ' N ' ' O ' ' A' ' 20' ' ' LYS . 9.7 ptt? -112.19 162.48 15.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.082 . . . . 0.0 111.013 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -103.18 105.17 15.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.317 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.706 HG21 ' HG3' ' A' ' 20' ' ' LYS . 70.3 p -63.88 -165.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 0.0 110.415 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.62 8.52 28.01 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -114.35 -19.86 11.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.88 0.31 57.53 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -81.68 111.44 17.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 110.256 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 91.1 m -55.03 98.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 108.28 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.706 ' HG3' HG21 ' A' ' 14' ' ' THR . 0.4 OUTLIER -92.08 165.79 19.16 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 145.74 31.67 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.496 1.787 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.1 m . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.36 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 72.4 m . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.683 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 33.4 tp -88.44 -55.49 3.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.683 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.95 105.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.604 1.19 . . . . 0.0 109.264 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.02 -35.24 4.68 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.486 1.116 . . . . 0.0 110.944 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -62.19 155.98 23.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 0.783 . . . . 0.0 110.963 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.409 ' O ' ' HA ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -112.48 157.81 20.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.464 ' CG ' ' O ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -100.11 106.8 18.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.293 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.641 HG23 ' O ' ' A' ' 18' ' ' ARG . 33.1 p -58.83 -153.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.579 1.174 . . . . 0.0 110.386 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -94.27 3.38 55.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.49 -8.66 10.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.249 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 96.45 -7.71 66.24 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.641 ' O ' HG23 ' A' ' 14' ' ' THR . 0.0 OUTLIER -61.65 110.44 1.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 0.726 . . . . 0.0 110.31 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.409 ' HA ' ' O ' ' A' ' 12' ' ' MET . 99.7 m -65.12 95.12 0.16 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.453 1.096 . . . . 0.0 108.3 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.617 ' HD2' HG21 ' A' ' 14' ' ' THR . 4.0 mttt -94.91 172.64 5.25 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 146.32 32.38 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.463 1.77 . . . . 0.0 110.964 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.5 m . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.372 -179.979 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 38.4 m . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.693 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 18.9 tp -86.68 -55.8 3.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.693 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.8 99.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.49 -37.96 2.97 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.435 1.084 . . . . 0.0 111.077 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.404 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 57.9 m-85 -58.57 155.05 13.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 0.729 . . . . 0.0 110.963 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.615 ' HE2' ' HB3' ' A' ' 20' ' ' LYS . 0.9 OUTLIER -109.6 161.32 15.48 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.409 1.068 . . . . 0.0 110.982 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.39 106.14 18.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.482 HG23 ' HB2' ' A' ' 20' ' ' LYS . 3.0 p -63.53 -168.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.438 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.33 -0.79 38.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 109.312 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.24 -2.63 9.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.17 -14.77 64.62 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.535 1.147 . . . . 0.0 110.939 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 43.4 mtt180 -50.39 111.55 0.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 0.742 . . . . 0.0 110.338 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 92.6 m -64.41 94.82 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 108.349 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.615 ' HB3' ' HE2' ' A' ' 12' ' ' MET . 13.4 mttt -94.8 171.72 6.34 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 143.29 29.1 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.499 1.789 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.5 m . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.387 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 72.9 m . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.695 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 46.7 tp -80.39 -55.92 4.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.695 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.55 103.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.451 1.094 . . . . 0.0 109.36 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.09 -34.78 4.79 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.49 1.119 . . . . 0.0 110.947 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -62.94 157.28 22.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 0.748 . . . . 0.0 110.971 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.418 ' N ' ' O ' ' A' ' 20' ' ' LYS . 14.3 ptt? -113.94 166.99 11.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -104.09 107.27 18.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 0.0 110.347 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.551 HG21 ' CE ' ' A' ' 20' ' ' LYS . 67.8 p -65.71 -162.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 110.409 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.02 7.56 39.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.09 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -114.22 -19.84 11.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.72 0.43 57.71 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.47 1.107 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.1 mmt-85 -82.0 111.63 18.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 0.756 . . . . 0.0 110.291 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 12' ' ' MET . 89.0 m -54.45 105.49 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 108.3 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.551 ' CE ' HG21 ' A' ' 14' ' ' THR . 4.3 mttt -101.88 170.5 6.35 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 145.2 31.0 Favored 'Trans proline' 0 C--N 1.358 1.067 0 O-C-N 124.575 1.829 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.7 m . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.422 -179.973 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 91.3 m . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.677 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 53.1 tp -82.94 -55.6 4.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.252 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.677 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 162.45 102.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 109.333 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 115.39 -40.26 2.5 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.542 1.151 . . . . 0.0 111.044 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -55.47 158.26 3.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 110.99 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.42 ' O ' ' HA ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -111.77 164.24 13.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 0.0 111.046 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.1 mmt180 -105.25 107.21 18.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.309 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.3 p -65.98 -168.19 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.358 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.9 8.14 21.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.14 -20.68 10.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.59 -0.78 56.81 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.501 1.125 . . . . 0.0 111.01 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -80.38 111.3 16.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 0.76 . . . . 0.0 110.312 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 12' ' ' MET . 98.3 m -56.59 106.02 0.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.597 1.186 . . . . 0.0 108.325 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -103.11 170.19 6.55 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 145.66 31.59 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.536 1.809 . . . . 0.0 110.985 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.9 m . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.455 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 88.9 m . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.683 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 54.5 tp -87.49 -55.75 3.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.683 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.81 100.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.16 -36.35 3.67 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -61.5 156.65 18.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 0.731 . . . . 0.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.411 ' N ' ' O ' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -113.06 158.21 20.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 111.031 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.419 ' O ' ' CG ' ' A' ' 13' ' ' ARG . 5.1 ppt_? -99.81 105.4 17.16 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.504 1.127 . . . . 0.0 110.324 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 42.7 p -59.78 -164.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.387 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.51 5.07 29.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.591 1.182 . . . . 0.0 109.22 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -117.75 -9.84 10.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.148 . . . . 0.0 109.312 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 93.73 -7.54 74.09 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.461 1.1 . . . . 0.0 110.993 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.32 112.29 3.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 0.764 . . . . 0.0 110.325 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 90.1 m -62.35 101.33 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 108.263 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -99.98 172.77 4.28 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.256 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 144.56 30.25 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.502 1.791 . . . . 0.0 110.983 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.1 m . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.332 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 83.4 m . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.698 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 49.8 tp -89.38 -55.98 3.44 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.698 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.65 93.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.359 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 124.28 -39.56 2.12 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.452 1.095 . . . . 0.0 111.012 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -57.09 156.15 7.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 0.766 . . . . 0.0 111.036 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.408 ' O ' ' N ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -117.09 159.71 22.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.965 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.434 ' CG ' ' HA2' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -97.72 103.11 15.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.532 1.145 . . . . 0.0 110.314 -179.89 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.604 HG23 ' HB2' ' A' ' 20' ' ' LYS . 8.9 p -55.54 -166.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 110.385 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.68 9.41 13.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -114.33 -17.71 11.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.434 ' HA2' ' CG ' ' A' ' 13' ' ' ARG . . . 96.49 3.12 59.93 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.583 1.177 . . . . 0.0 111.025 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.5 mtp180 -86.32 113.07 22.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 0.749 . . . . 0.0 110.313 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 92.2 m -56.85 98.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 108.309 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.604 ' HB2' HG23 ' A' ' 14' ' ' THR . 5.3 mttm -96.38 166.42 14.23 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.265 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 144.14 29.99 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.453 1.765 . . . . 0.0 111.011 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.0 m . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 110.365 179.993 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 57.6 m . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.695 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 38.2 tp -86.4 -55.64 3.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.695 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.62 98.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 120.04 -37.29 3.14 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.47 1.106 . . . . 0.0 111.07 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -59.87 156.2 14.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 0.775 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -111.29 157.23 20.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.137 . . . . 0.0 110.956 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.8 ttp85 -97.97 104.83 16.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.697 HG23 ' O ' ' A' ' 18' ' ' ARG . 47.2 p -59.3 -151.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.434 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -96.26 1.95 52.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.21 -4.31 9.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.27 -8.2 72.37 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.462 1.101 . . . . 0.0 110.979 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.697 ' O ' HG23 ' A' ' 14' ' ' THR . 2.0 mtt85 -57.86 110.53 0.93 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 0.763 . . . . 0.0 110.344 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 95.6 m -67.23 94.73 0.38 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.107 . . . . 0.0 108.355 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.412 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.4 OUTLIER -96.27 174.73 3.15 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.412 ' CD ' ' CB ' ' A' ' 20' ' ' LYS . 18.3 Cg_endo -74.99 144.37 30.2 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.502 1.791 . . . . 0.0 111.013 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.9 m . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.407 179.994 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.0 m . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.689 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 27.4 tp -83.44 -56.03 3.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.689 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.63 97.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 121.28 -37.94 2.82 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.424 1.078 . . . . 0.0 111.008 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.411 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 56.0 m-85 -58.93 155.32 13.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 0.798 . . . . 0.0 111.02 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.416 ' N ' ' O ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -110.88 162.63 14.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 111.013 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.14 104.11 16.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.48 ' CG2' ' HB2' ' A' ' 20' ' ' LYS . 55.0 p -65.39 -162.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.163 . . . . 0.0 110.401 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.66 22.03 4.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -130.61 7.06 4.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 71.55 10.64 71.28 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.451 1.094 . . . . 0.0 110.959 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.53 -170.28 2.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 0.747 . . . . 0.0 110.295 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 12' ' ' MET . 96.2 m -132.23 94.18 3.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 108.285 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.48 ' HB2' ' CG2' ' A' ' 14' ' ' THR . 8.9 mttp -95.75 172.38 5.34 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 142.91 28.46 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.533 1.807 . . . . 0.0 111.031 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.5 m . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.369 -179.919 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 84.9 m . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.689 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 47.0 tp -85.77 -56.14 3.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.689 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.56 95.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 121.89 -35.63 3.48 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.584 1.177 . . . . 0.0 110.995 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -62.99 154.83 29.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.774 . . . . 0.0 110.997 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.418 ' O ' ' N ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -114.98 159.33 20.88 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.424 1.077 . . . . 0.0 110.954 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.432 ' CG ' ' HA2' ' A' ' 17' ' ' GLY . 1.9 tmm_? -100.3 106.2 17.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.294 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.435 HG23 ' HB2' ' A' ' 20' ' ' LYS . 47.3 p -62.13 -163.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.403 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.1 8.75 19.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.3 -14.24 11.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.432 ' HA2' ' CG ' ' A' ' 13' ' ' ARG . . . 94.13 -3.8 70.24 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.528 1.142 . . . . 0.0 111.01 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -75.17 113.45 12.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.552 0.795 . . . . 0.0 110.323 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 12' ' ' MET . 93.1 m -60.75 99.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 108.25 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.435 ' HB2' HG23 ' A' ' 14' ' ' THR . 0.0 OUTLIER -97.18 171.49 5.96 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 145.28 31.3 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.526 1.803 . . . . 0.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.4 ' OG1' ' HG2' ' A' ' 12' ' ' MET . 20.7 m . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.483 1.114 . . . . 0.0 110.416 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.9 m . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.715 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 56.0 tp -73.92 -55.12 6.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.715 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.8 93.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 121.43 -36.05 3.4 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.552 1.158 . . . . 0.0 111.043 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -66.06 152.79 43.9 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.473 0.749 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.431 ' N ' ' O ' ' A' ' 20' ' ' LYS . 3.9 ptt? -111.3 157.13 20.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.75 104.02 16.0 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.456 HG23 ' HB2' ' A' ' 20' ' ' LYS . 7.7 p -64.06 -168.02 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.445 1.091 . . . . 0.0 110.347 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.78 9.03 17.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.165 . . . . 0.0 109.288 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -113.96 -20.96 10.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.29 -1.02 55.95 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.542 1.151 . . . . 0.0 110.975 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -81.86 111.03 17.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.761 . . . . 0.0 110.283 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.7 m -57.85 97.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 108.295 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.456 ' HB2' HG23 ' A' ' 14' ' ' THR . 3.1 mttt -91.33 169.05 12.14 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 145.04 30.89 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.448 1.762 . . . . 0.0 110.981 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 23.9 m . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.444 179.963 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.2 m . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.695 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 53.7 tp -84.07 -55.21 4.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.436 1.085 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.695 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 162.32 101.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.56 -40.52 2.36 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.454 1.097 . . . . 0.0 111.053 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.407 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 81.8 m-85 -55.57 154.58 6.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 0.75 . . . . 0.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.7 ptt? -110.68 159.79 17.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 111.023 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.63 106.29 18.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 110.242 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 38.7 p -64.25 -164.97 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.122 . . . . 0.0 110.417 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.94 1.21 44.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.267 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.44 -9.86 10.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.78 -8.04 70.75 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.478 1.111 . . . . 0.0 111.039 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.8 mmt85 -61.9 110.86 1.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 0.777 . . . . 0.0 110.281 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 89.8 m -61.33 99.85 0.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.403 1.065 . . . . 0.0 108.235 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -100.45 174.74 2.76 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.09 . . . . 0.0 109.291 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.405 ' CD ' ' CB ' ' A' ' 20' ' ' LYS . 18.2 Cg_endo -75.07 144.45 30.03 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.52 1.8 . . . . 0.0 111.004 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 28.1 m . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.446 1.091 . . . . 0.0 110.382 -179.964 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 68.4 m . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.688 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 49.7 tp -93.37 -54.79 3.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.357 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.688 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 162.32 103.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.348 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.99 -36.64 3.83 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.573 1.171 . . . . 0.0 110.988 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -64.19 154.77 33.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.57 0.806 . . . . 0.0 111.076 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.423 ' O ' ' N ' ' A' ' 20' ' ' LYS . 6.3 ptt? -117.98 161.51 19.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.147 . . . . 0.0 111.08 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.444 ' CD ' ' SG ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -99.6 105.51 17.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 110.304 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.452 ' CG2' ' HB2' ' A' ' 20' ' ' LYS . 39.5 p -57.61 -157.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.167 . . . . 0.0 110.465 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.64 9.24 33.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.01 -18.48 11.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.92 0.96 57.33 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.508 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 0.4 OUTLIER -82.89 118.93 23.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 110.323 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.444 ' SG ' ' CD ' ' A' ' 13' ' ' ARG . 94.2 m -63.94 97.56 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 108.32 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.452 ' HB2' ' CG2' ' A' ' 14' ' ' THR . 1.0 OUTLIER -95.8 171.98 5.77 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.256 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 145.26 30.94 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.517 1.799 . . . . 0.0 110.995 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.9 m . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.118 . . . . 0.0 110.321 -179.922 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 82.3 m . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.687 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 50.2 tp -81.51 -55.26 4.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.687 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.96 96.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.158 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.64 -42.36 1.78 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.432 1.082 . . . . 0.0 111.031 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -53.67 155.78 2.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 0.727 . . . . 0.0 110.975 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.418 ' O ' ' N ' ' A' ' 20' ' ' LYS . 8.1 ptt? -117.25 161.35 19.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 111.031 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.435 ' CG ' ' HA2' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -100.54 105.68 17.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.09 . . . . 0.0 110.28 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.48 ' CG2' ' HB2' ' A' ' 20' ' ' LYS . 39.4 p -57.44 -159.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.369 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -90.79 9.63 29.36 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.446 1.091 . . . . 0.0 109.258 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.34 -18.05 11.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.435 ' HA2' ' CG ' ' A' ' 13' ' ' ARG . . . 97.49 3.36 58.55 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.463 1.102 . . . . 0.0 111.027 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.501 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 8.7 ptm180 -85.53 118.92 25.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.755 . . . . 0.0 110.277 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 12' ' ' MET . 97.9 m -62.74 100.3 0.19 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.527 1.142 . . . . 0.0 108.295 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.48 ' HB2' ' CG2' ' A' ' 14' ' ' THR . 0.0 OUTLIER -99.17 170.29 7.06 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.421 1.076 . . . . 0.0 109.272 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 144.57 30.55 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.579 1.831 . . . . 0.0 111.01 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.8 m . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.412 179.974 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.3 m . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.702 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 55.8 tp -75.71 -55.56 5.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.702 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.78 97.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.54 -40.49 2.21 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -54.63 154.34 5.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 0.761 . . . . 0.0 110.924 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -109.07 165.15 11.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.96 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.8 106.03 18.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.609 HG23 ' HB2' ' A' ' 20' ' ' LYS . 4.9 p -63.93 -168.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 110.482 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.22 -1.02 38.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.37 -1.22 8.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 93.11 -14.82 64.36 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.508 1.13 . . . . 0.0 110.964 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 57.8 mtt180 -49.82 112.18 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 0.753 . . . . 0.0 110.25 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 12' ' ' MET . 95.2 m -62.17 93.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 108.247 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.609 ' HB2' HG23 ' A' ' 14' ' ' THR . 1.1 mttm -92.0 170.27 9.62 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 143.19 28.87 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.486 1.782 . . . . 0.0 110.983 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.4 m . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 110.4 179.954 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 93.8 m . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.682 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 52.1 tp -85.5 -55.59 3.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.682 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 162.05 98.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 109.262 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.53 -40.28 2.27 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.474 1.108 . . . . 0.0 111.064 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -55.33 156.64 4.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 0.787 . . . . 0.0 111.053 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.419 ' O ' ' HA ' ' A' ' 19' ' ' CYS . 1.7 ptt? -109.23 161.99 14.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 111.039 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.4 mtm180 -105.29 107.04 17.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.9 p -66.28 -168.0 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.434 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.32 7.55 21.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.459 ' OD2' ' CG ' ' A' ' 18' ' ' ARG . 26.1 t70 -114.91 -17.47 11.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 96.89 -2.03 61.64 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.47 1.106 . . . . 0.0 111.025 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.459 ' CG ' ' OD2' ' A' ' 16' ' ' ASP . 16.8 mmt180 -76.58 112.03 12.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 0.796 . . . . 0.0 110.264 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 12' ' ' MET . 96.5 m -59.49 105.87 0.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.085 . . . . 0.0 108.227 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.0 mptt -101.54 168.95 8.34 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.11 144.44 29.91 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.499 1.789 . . . . 0.0 110.978 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.513 ' O ' HG22 ' A' ' 22' ' ' THR . 16.9 m . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.437 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 88.5 m . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.68 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 54.9 tp -81.52 -55.57 4.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.55 1.156 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.68 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.96 100.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 179.933 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.57 -39.13 2.79 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.466 1.104 . . . . 0.0 111.025 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.464 ' HE2' HD23 ' A' ' 8' ' ' LEU . 78.2 m-85 -57.63 156.34 8.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 0.736 . . . . 0.0 111.026 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.484 ' CG ' ' OG1' ' A' ' 22' ' ' THR . 19.0 ptt? -115.21 164.03 14.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 111.016 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.44 ' CG ' ' HA2' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -102.88 105.27 15.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 -179.867 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.449 ' CG2' ' HB2' ' A' ' 20' ' ' LYS . 39.3 p -59.76 -157.85 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.414 1.071 . . . . 0.0 110.39 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.69 8.3 37.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.41 -13.18 10.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.282 179.938 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.44 ' HA2' ' CG ' ' A' ' 13' ' ' ARG . . . 92.44 -0.48 71.26 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.45 1.094 . . . . 0.0 110.959 179.919 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.6 mtm180 -78.77 113.64 17.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 0.751 . . . . 0.0 110.281 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 12' ' ' MET . 96.5 m -57.31 106.65 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.173 . . . . 0.0 108.272 -179.94 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.449 ' HB2' ' CG2' ' A' ' 14' ' ' THR . 0.0 OUTLIER -105.85 172.87 3.6 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.137 . . . . 0.0 109.279 179.958 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 144.99 31.05 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.449 1.762 . . . . 0.0 111.06 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.491 ' O ' ' CG2' ' A' ' 22' ' ' THR . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 110.41 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 88.6 m . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.686 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 53.3 tp -87.33 -55.66 3.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.335 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.686 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.87 97.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.58 1.175 . . . . 0.0 109.256 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.89 -32.6 4.9 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.488 1.117 . . . . 0.0 110.977 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -70.76 152.88 43.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 0.755 . . . . 0.0 110.924 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.42 ' O ' ' N ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -118.6 162.45 18.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 111.006 179.98 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.457 ' CG ' ' HA2' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -98.66 106.94 19.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.285 179.993 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.43 ' CG2' ' HB2' ' A' ' 20' ' ' LYS . 68.9 p -58.58 -153.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 110.438 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.05 9.69 38.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -114.69 -18.24 11.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.921 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.457 ' HA2' ' CG ' ' A' ' 13' ' ' ARG . . . 98.62 2.23 57.53 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.444 1.09 . . . . 0.0 110.975 179.937 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.792 HH21 ' CE ' ' A' ' 20' ' ' LYS . 1.8 ptt180 -85.14 119.39 25.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 0.751 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 87.8 m -62.9 98.43 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 108.314 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.792 ' CE ' HH21 ' A' ' 18' ' ' ARG . 0.1 OUTLIER -93.7 167.13 14.43 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.941 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 142.12 27.32 Favored 'Trans proline' 0 C--N 1.358 1.075 0 O-C-N 124.505 1.792 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.4 m . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 110.407 -179.978 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 62.0 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.689 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 46.6 tp -82.01 -55.74 4.39 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 109.257 179.954 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.689 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.54 95.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.401 1.063 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 121.39 -37.99 2.79 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.495 1.122 . . . . 0.0 111.044 -179.937 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.452 ' HE2' HD23 ' A' ' 8' ' ' LEU . 87.4 m-85 -59.16 154.68 15.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 0.766 . . . . 0.0 111.038 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.411 ' N ' ' O ' ' A' ' 20' ' ' LYS . 8.1 ptt? -112.73 161.76 16.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 111.021 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.34 104.33 14.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.285 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.475 ' CG2' ' HB2' ' A' ' 20' ' ' LYS . 29.7 p -63.58 -164.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 110.35 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.21 10.1 23.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.251 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.2 -19.75 11.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 97.13 1.93 59.39 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.547 1.155 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.9 mtm180 -85.59 112.37 20.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 0.777 . . . . 0.0 110.305 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 98.1 m -54.85 102.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 108.343 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.475 ' HB2' ' CG2' ' A' ' 14' ' ' THR . 18.2 mttt -96.11 168.24 11.02 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.132 . . . . 0.0 109.319 179.895 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 144.5 30.47 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.495 1.787 . . . . 0.0 111.065 179.857 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.3 m . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.595 1.184 . . . . 0.0 110.395 -179.928 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 87.1 m . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.701 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 57.2 tp -85.5 -56.32 3.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.701 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.03 96.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 121.83 -33.36 4.28 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.59 1.182 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -65.85 158.54 27.61 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.518 0.775 . . . . 0.0 111.034 179.955 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.417 ' O ' ' HA ' ' A' ' 19' ' ' CYS . 6.4 ptt? -114.34 161.11 18.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.972 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.418 ' CG ' ' HA2' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -102.99 106.9 17.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 179.957 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.489 HG23 ' O ' ' A' ' 18' ' ' ARG . 32.9 p -59.03 -153.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.388 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.11 4.98 53.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -116.61 -11.92 10.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.259 -179.932 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.418 ' HA2' ' CG ' ' A' ' 13' ' ' ARG . . . 96.23 -4.38 64.79 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.483 1.114 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.489 ' O ' HG23 ' A' ' 14' ' ' THR . 3.1 mtp85 -69.28 112.13 5.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 0.791 . . . . 0.0 110.3 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 12' ' ' MET . 85.4 m -62.44 100.36 0.18 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.472 1.107 . . . . 0.0 108.258 -179.91 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.466 ' HD3' HG21 ' A' ' 14' ' ' THR . 0.9 OUTLIER -98.18 164.6 16.93 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 179.932 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.43 ' CD ' ' HG3' ' A' ' 20' ' ' LYS . 18.1 Cg_endo -75.02 142.46 27.8 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.402 1.738 . . . . 0.0 111.009 179.917 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.497 ' O ' ' CG2' ' A' ' 22' ' ' THR . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.413 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.5 m . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.674 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 41.6 tp -96.41 -53.56 3.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.359 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.674 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 164.46 117.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.275 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.32 13.34 58.75 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.454 1.096 . . . . 0.0 110.991 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.43 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 26.1 m-85 -125.33 149.24 48.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 0.75 . . . . 0.0 111.045 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 20' ' ' LYS . 1.1 ptt? -118.44 157.63 26.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 111.017 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -94.67 102.48 14.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.26 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.404 ' H ' HG23 ' A' ' 14' ' ' THR . 35.9 p -58.95 -153.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.607 1.192 . . . . 0.0 110.402 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -99.71 9.31 43.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -114.23 -17.54 11.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.39 3.42 57.56 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.483 1.114 . . . . 0.0 110.996 179.874 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.494 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 16.0 ptt180 -86.9 117.67 25.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 0.0 110.341 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.2 m -68.59 100.3 1.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 108.311 -179.861 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 12' ' ' MET . 3.6 mmtt -103.26 167.48 10.13 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 143.08 28.88 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.461 1.769 . . . . 0.0 111.06 179.876 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.9 m . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.356 -179.934 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 88.1 m . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.679 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 51.2 tp -90.74 -55.32 3.61 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.949 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.679 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 162.42 99.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.28 -40.96 2.1 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.48 1.112 . . . . 0.0 111.046 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -54.95 155.65 4.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 0.735 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.473 ' HE2' ' HB3' ' A' ' 20' ' ' LYS . 7.7 ptt? -108.05 158.85 17.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 111.043 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.47 ' CD ' ' HA2' ' A' ' 17' ' ' GLY . 5.3 ttt180 -102.53 108.97 20.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.777 HG21 ' HD2' ' A' ' 20' ' ' LYS . 29.7 p -63.98 -156.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.541 1.151 . . . . 0.0 110.409 179.966 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.32 3.87 54.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.399 1.062 . . . . 0.0 109.257 -179.953 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.16 -2.52 9.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.254 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.47 ' HA2' ' CD ' ' A' ' 13' ' ' ARG . . . 92.16 -11.72 71.41 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 -179.941 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.751 ' O ' HG23 ' A' ' 14' ' ' THR . 5.9 mmt85 -54.54 112.73 1.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 0.779 . . . . 0.0 110.298 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 12' ' ' MET . 93.2 m -69.22 95.1 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 108.277 -179.952 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.777 ' HD2' HG21 ' A' ' 14' ' ' THR . 3.0 mttt -91.91 167.21 15.74 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 144.42 30.29 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.373 1.723 . . . . 0.0 110.954 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.445 ' O ' HG22 ' A' ' 22' ' ' THR . 51.1 m . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.38 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 92.7 m . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.68 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 56.7 tp -85.59 -55.83 3.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.943 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.68 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.96 104.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.82 -34.46 4.98 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.511 1.132 . . . . 0.0 110.964 179.924 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -64.01 157.72 24.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 0.743 . . . . 0.0 110.981 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 20' ' ' LYS . 6.7 ptt? -112.84 158.53 20.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.959 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.448 ' CG ' ' O ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -102.05 105.65 16.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 -179.966 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.507 HG21 ' HD3' ' A' ' 20' ' ' LYS . 3.2 p -60.56 -167.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 110.465 179.954 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.42 3.96 22.66 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.564 1.165 . . . . 0.0 109.258 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.52 -16.49 11.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.92 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.71 -6.69 60.75 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.547 1.154 . . . . 0.0 110.938 179.916 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.7 mtp85 -67.42 110.64 3.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 0.771 . . . . 0.0 110.277 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.409 ' HA ' ' O ' ' A' ' 12' ' ' MET . 94.0 m -61.96 106.3 0.69 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 108.227 -179.962 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.507 ' HD3' HG21 ' A' ' 14' ' ' THR . 0.0 OUTLIER -108.64 168.19 8.14 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 -179.973 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 142.77 28.53 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.516 1.798 . . . . 0.0 111.044 179.852 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.506 ' O ' ' CG2' ' A' ' 22' ' ' THR . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.42 1.075 . . . . 0.0 110.354 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 88.4 m . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.686 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 54.7 tp -79.98 -55.63 4.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.686 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.91 100.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.95 -39.11 2.77 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -57.56 157.08 7.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 0.77 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.411 ' O ' ' HA ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -112.63 166.3 11.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 110.969 -179.995 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.65 107.88 19.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 110.282 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.546 HG21 ' HD2' ' A' ' 20' ' ' LYS . 42.9 p -62.1 -153.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 0.0 110.442 179.914 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -100.88 9.77 41.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -114.5 -17.6 11.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.6 2.68 57.49 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.473 1.108 . . . . 0.0 110.97 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.498 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 8.1 ptm180 -85.55 118.71 25.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 0.776 . . . . 0.0 110.301 -179.945 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 12' ' ' MET . 89.6 m -61.71 107.37 0.81 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 108.34 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.546 ' HD2' HG21 ' A' ' 14' ' ' THR . 1.1 mttm -101.11 168.35 9.33 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 145.69 32.0 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.446 1.761 . . . . 0.0 111.013 -179.952 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.503 ' O ' HG22 ' A' ' 22' ' ' THR . 15.6 m . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 110.434 179.981 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 54.6 m . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.712 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 31.7 tp -79.32 -57.78 3.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.712 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.26 88.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.35 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.16 -36.92 2.3 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.526 1.141 . . . . 0.0 111.028 -179.933 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.402 ' HE1' HD23 ' A' ' 8' ' ' LEU . 88.1 m-85 -56.65 157.29 5.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 0.736 . . . . 0.0 111.022 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.408 ' N ' ' O ' ' A' ' 20' ' ' LYS . 5.4 ptt? -109.24 160.07 16.42 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.104 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -98.23 105.24 17.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 179.97 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.408 ' CG2' ' HB2' ' A' ' 20' ' ' LYS . 64.7 p -64.97 -162.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.381 179.95 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.93 21.34 4.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.348 179.92 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -129.98 6.45 5.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 73.41 9.18 77.26 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.521 1.138 . . . . 0.0 110.959 -179.985 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.89 -170.25 1.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 0.77 . . . . 0.0 110.331 -179.954 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 87.2 m -133.39 93.7 3.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 108.308 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.408 ' HB2' ' CG2' ' A' ' 14' ' ' THR . 8.7 mptt -92.62 167.0 15.53 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 142.18 27.39 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.467 1.772 . . . . 0.0 111.007 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.0 m . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.342 -179.996 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 61.2 m . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.698 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 56.3 tp -81.4 -56.33 4.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.353 179.961 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.698 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.25 95.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 121.89 -33.76 4.13 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 179.959 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.515 ' HE2' HD23 ' A' ' 8' ' ' LEU . 82.5 m-85 -64.96 154.96 36.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.55 0.794 . . . . 0.0 110.952 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.404 ' N ' ' O ' ' A' ' 20' ' ' LYS . 6.9 ptt? -115.65 162.29 17.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 111.047 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -100.2 103.8 15.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 110.301 -179.94 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.472 ' CG2' ' HB2' ' A' ' 20' ' ' LYS . 32.7 p -58.96 -154.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.381 -179.898 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -98.81 9.64 42.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -114.52 -17.33 11.74 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.505 1.128 . . . . 0.0 109.247 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 97.69 3.69 58.24 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 -179.885 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.496 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 11.8 ptm180 -87.26 119.98 28.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 0.771 . . . . 0.0 110.322 179.945 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 87.9 m -63.66 105.96 0.89 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 108.319 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.472 ' HB2' ' CG2' ' A' ' 14' ' ' THR . 0.3 OUTLIER -103.52 173.43 3.44 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 -179.924 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 144.34 30.32 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.486 1.782 . . . . 0.0 111.028 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 16.2 m . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 110.39 179.99 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 13.2 p30 173.07 133.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -149.23 90.39 1.74 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 111.028 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -107.17 57.74 0.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.431 ' O ' ' NH2' ' A' ' 13' ' ' ARG . . . 110.77 -40.59 2.5 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.547 1.155 . . . . 0.0 111.012 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 125.04 51.59 0.18 Allowed Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 31.3 m -121.06 -179.97 4.2 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.712 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 7.8 tp -80.62 -55.48 4.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 109.354 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.712 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.49 97.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.408 ' O ' ' OG1' ' A' ' 22' ' ' THR . . . 118.35 -34.11 4.56 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.418 1.073 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -65.81 157.09 31.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.459 0.741 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -116.5 161.59 18.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.431 ' NH2' ' O ' ' A' ' 5' ' ' GLY . 1.1 mmm180 -98.85 103.37 15.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.103 . . . . 0.0 110.302 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.413 HG21 ' CD ' ' A' ' 20' ' ' LYS . 7.7 p -64.35 -167.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 110.416 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.38 8.25 19.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.581 1.175 . . . . 0.0 109.276 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -114.34 -18.59 11.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 95.87 2.9 60.94 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.453 1.096 . . . . 0.0 110.957 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.3 mtt-85 -84.35 112.64 20.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.561 0.801 . . . . 0.0 110.288 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.6 m -58.57 99.81 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 108.306 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.413 ' CD ' HG21 ' A' ' 14' ' ' THR . 8.3 mttp -98.47 172.57 4.65 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.433 1.083 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.562 ' HB2' ' CD2' ' A' ' 23' ' ' PHE . 18.2 Cg_endo -75.07 143.15 28.5 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.464 1.771 . . . . 0.0 110.972 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 10' ' ' GLY . 9.8 m -107.68 8.08 28.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.406 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.562 ' CD2' ' HB2' ' A' ' 21' ' ' PRO . 11.8 m-85 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.417 1.073 . . . . 0.0 111.029 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 43.7 p-10 -174.49 164.72 3.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -150.82 100.45 2.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 111.018 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -152.94 46.02 0.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 109.334 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.58 ' CA ' HH21 ' A' ' 13' ' ' ARG . . . 106.06 -38.09 3.48 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.551 1.157 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 132.56 50.68 0.09 OUTLIER Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 85.5 m -107.86 -179.59 3.95 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.689 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 17.1 tp -85.0 -55.88 3.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.689 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.61 97.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 120.16 -35.86 3.63 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.451 1.094 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -62.55 155.8 24.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 0.744 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.425 ' N ' ' O ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -114.17 165.02 13.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 110.974 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.58 HH21 ' CA ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -102.92 105.09 15.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.33 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.627 HG21 ' HG3' ' A' ' 20' ' ' LYS . 66.8 p -62.34 -158.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.45 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.38 9.52 39.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -114.99 -17.12 11.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.421 1.076 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 95.54 3.11 61.34 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.0 mtt85 -86.28 113.02 21.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 0.751 . . . . 0.0 110.307 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 94.9 m -54.36 103.54 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 108.281 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.627 ' HG3' HG21 ' A' ' 14' ' ' THR . 0.2 OUTLIER -96.94 166.38 14.01 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.551 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 18.3 Cg_endo -75.0 143.83 29.51 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.48 1.779 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.1 m -112.2 7.73 19.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 110.343 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.551 ' CE2' ' HB3' ' A' ' 21' ' ' PRO . 5.5 p90 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.574 1.171 . . . . 0.0 111.019 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 23.9 p-10 -89.09 153.81 20.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 109.343 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -146.57 -46.85 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -178.09 46.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 105.82 -38.05 3.5 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.549 1.156 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 133.42 53.44 0.08 OUTLIER Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 63.2 m -107.22 177.29 4.89 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.699 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 50.3 tp -80.13 -56.82 3.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.699 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.28 92.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.407 ' O ' ' CB ' ' A' ' 22' ' ' THR . . . 125.19 -39.49 2.07 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.479 1.112 . . . . 0.0 111.098 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.434 ' HE2' HD23 ' A' ' 8' ' ' LEU . 84.9 m-85 -53.36 156.79 2.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 0.772 . . . . 0.0 111.02 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.463 ' HE2' ' HB3' ' A' ' 20' ' ' LYS . 1.8 ptt? -108.4 158.53 17.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 111.067 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.98 105.52 17.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.307 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.496 HG23 ' HB2' ' A' ' 20' ' ' LYS . 5.0 p -59.87 -168.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.391 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.55 -0.97 39.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.72 -4.72 9.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 97.86 -15.68 61.38 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.0 mtt-85 -49.52 110.08 0.34 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 0.801 . . . . 0.0 110.282 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 84.9 m -61.9 90.09 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.087 . . . . 0.0 108.35 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.496 ' HB2' HG23 ' A' ' 14' ' ' THR . 10.9 mttt -84.27 168.07 23.7 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.553 ' HB3' ' CZ ' ' A' ' 23' ' ' PHE . 18.1 Cg_endo -75.04 144.44 30.11 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.569 1.826 . . . . 0.0 110.931 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.407 ' CB ' ' O ' ' A' ' 10' ' ' GLY . 39.7 m -110.87 8.27 22.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.37 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.553 ' CZ ' ' HB3' ' A' ' 21' ' ' PRO . 4.1 p90 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.997 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.448 ' CB ' ' HA2' ' A' ' 6' ' ' GLY . 52.1 m-20 -89.95 139.68 30.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 109.362 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -141.89 -51.75 0.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 110.967 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -108.42 55.07 0.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 109.39 -39.8 2.78 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.563 1.164 . . . . 0.0 110.941 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.448 ' HA2' ' CB ' ' A' ' 2' ' ' ASN . . . 117.77 58.25 0.29 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 92.8 m -101.72 178.77 4.53 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.698 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 56.9 tp -85.31 -55.87 3.81 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.569 1.168 . . . . 0.0 109.366 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.698 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.74 98.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.265 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.28 -39.33 2.55 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.489 1.118 . . . . 0.0 110.961 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -55.73 156.36 5.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.765 . . . . 0.0 110.96 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.432 ' N ' ' O ' ' A' ' 20' ' ' LYS . 0.6 OUTLIER -111.57 155.29 23.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 111.069 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.414 ' O ' ' CG ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -97.78 104.2 16.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.261 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 35.9 p -55.73 -164.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.365 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.19 2.95 25.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -121.22 -3.95 9.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.105 . . . . 0.0 109.315 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.0 -14.03 66.15 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.504 1.128 . . . . 0.0 111.014 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.4 mtt180 -52.31 111.86 0.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 0.759 . . . . 0.0 110.294 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 94.0 m -65.5 90.09 0.11 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 108.276 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 12' ' ' MET . 8.2 mttt -89.48 168.15 15.81 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.52 1.138 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.561 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 18.3 Cg_endo -74.94 145.03 31.21 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.509 1.794 . . . . 0.0 111.011 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.5 m -105.29 7.86 33.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 0.0 110.39 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.561 ' CE2' ' HB3' ' A' ' 21' ' ' PRO . 4.7 p90 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.424 1.078 . . . . 0.0 110.953 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 42.3 m-20 -79.61 148.05 31.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 17.2 p90 -62.76 130.45 44.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 111.066 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -108.91 58.62 0.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 109.359 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.719 ' CA ' HH21 ' A' ' 13' ' ' ARG . . . 111.31 -40.88 2.39 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.46 1.1 . . . . 0.0 110.971 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 150.81 50.55 0.02 OUTLIER Glycine 0 CA--C 1.529 0.912 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 58.7 m -115.05 172.31 7.13 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.704 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 50.8 tp -73.73 -56.74 4.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.704 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.19 95.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.84 -37.84 2.98 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.504 1.127 . . . . 0.0 110.991 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.461 ' HE1' HD23 ' A' ' 8' ' ' LEU . 80.2 m-85 -55.77 157.55 4.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 0.766 . . . . 0.0 110.938 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.414 ' N ' ' O ' ' A' ' 20' ' ' LYS . 9.7 ptt? -112.19 162.48 15.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.082 . . . . 0.0 111.013 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.719 HH21 ' CA ' ' A' ' 5' ' ' GLY . 1.0 OUTLIER -103.18 105.17 15.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.317 179.906 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.706 HG21 ' HG3' ' A' ' 20' ' ' LYS . 70.3 p -63.88 -165.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 0.0 110.415 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.62 8.52 28.01 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -114.35 -19.86 11.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.88 0.31 57.53 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -81.68 111.44 17.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 110.256 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 91.1 m -55.03 98.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 108.28 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.706 ' HG3' HG21 ' A' ' 14' ' ' THR . 0.4 OUTLIER -92.08 165.79 19.16 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.569 ' HB2' ' CD2' ' A' ' 23' ' ' PHE . 18.1 Cg_endo -75.04 145.74 31.67 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.496 1.787 . . . . 0.0 110.995 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.1 m -100.88 8.1 43.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.36 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.569 ' CD2' ' HB2' ' A' ' 21' ' ' PRO . 11.9 m-30 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -69.0 146.66 52.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 109.281 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -169.42 92.83 0.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.979 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -106.27 57.35 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 110.65 -40.51 2.52 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 125.2 56.15 0.17 Allowed Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 72.4 m -98.27 178.43 5.06 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.683 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 33.4 tp -88.44 -55.49 3.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.683 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.95 105.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.604 1.19 . . . . 0.0 109.264 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.02 -35.24 4.68 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.486 1.116 . . . . 0.0 110.944 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -62.19 155.98 23.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 0.783 . . . . 0.0 110.963 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.409 ' O ' ' HA ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -112.48 157.81 20.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.464 ' CG ' ' O ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -100.11 106.8 18.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.293 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.641 HG23 ' O ' ' A' ' 18' ' ' ARG . 33.1 p -58.83 -153.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.579 1.174 . . . . 0.0 110.386 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -94.27 3.38 55.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -118.49 -8.66 10.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.249 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 96.45 -7.71 66.24 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.641 ' O ' HG23 ' A' ' 14' ' ' THR . 0.0 OUTLIER -61.65 110.44 1.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 0.726 . . . . 0.0 110.31 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.409 ' HA ' ' O ' ' A' ' 12' ' ' MET . 99.7 m -65.12 95.12 0.16 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.453 1.096 . . . . 0.0 108.3 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.617 ' HD2' HG21 ' A' ' 14' ' ' THR . 4.0 mttt -94.91 172.64 5.25 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.562 ' HB3' ' CZ ' ' A' ' 23' ' ' PHE . 18.1 Cg_endo -75.03 146.32 32.38 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.463 1.77 . . . . 0.0 110.964 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.5 m -109.94 7.96 24.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.372 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.562 ' CZ ' ' HB3' ' A' ' 21' ' ' PRO . 5.1 p90 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.34 165.15 24.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.36 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.408 ' CE1' ' HA2' ' A' ' 6' ' ' GLY . 0.2 OUTLIER -140.04 174.3 10.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 110.985 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -150.99 49.2 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 103.59 -36.9 4.03 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.453 1.096 . . . . 0.0 111.033 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.408 ' HA2' ' CE1' ' A' ' 3' ' ' PHE . . . 134.23 57.76 0.07 OUTLIER Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 38.4 m -113.1 -179.93 3.78 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.693 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 18.9 tp -86.68 -55.8 3.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.693 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.8 99.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.49 -37.96 2.97 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.435 1.084 . . . . 0.0 111.077 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.404 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 57.9 m-85 -58.57 155.05 13.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 0.729 . . . . 0.0 110.963 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.615 ' HE2' ' HB3' ' A' ' 20' ' ' LYS . 0.9 OUTLIER -109.6 161.32 15.48 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.409 1.068 . . . . 0.0 110.982 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.39 106.14 18.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.482 HG23 ' HB2' ' A' ' 20' ' ' LYS . 3.0 p -63.53 -168.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.438 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.33 -0.79 38.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 109.312 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.24 -2.63 9.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.17 -14.77 64.62 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.535 1.147 . . . . 0.0 110.939 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 43.4 mtt180 -50.39 111.55 0.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 0.742 . . . . 0.0 110.338 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 92.6 m -64.41 94.82 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 108.349 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.615 ' HB3' ' HE2' ' A' ' 12' ' ' MET . 13.4 mttt -94.8 171.72 6.34 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.55 ' HB3' ' CZ ' ' A' ' 23' ' ' PHE . 18.2 Cg_endo -74.94 143.29 29.1 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.499 1.789 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.5 m -112.44 7.61 19.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.387 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.55 ' CZ ' ' HB3' ' A' ' 21' ' ' PRO . 3.5 p90 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 111.037 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -158.32 170.29 22.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -89.92 48.8 1.62 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.5 1.125 . . . . 0.0 111.041 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 178.77 38.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 109.332 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -120.7 39.54 2.4 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.418 1.074 . . . . 0.0 110.977 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -166.71 -53.32 0.03 OUTLIER Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 72.9 m -52.74 175.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.695 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 46.7 tp -80.39 -55.92 4.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.695 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.55 103.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.451 1.094 . . . . 0.0 109.36 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.09 -34.78 4.79 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.49 1.119 . . . . 0.0 110.947 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -62.94 157.28 22.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 0.748 . . . . 0.0 110.971 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.418 ' N ' ' O ' ' A' ' 20' ' ' LYS . 14.3 ptt? -113.94 166.99 11.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -104.09 107.27 18.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 0.0 110.347 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.551 HG21 ' CE ' ' A' ' 20' ' ' LYS . 67.8 p -65.71 -162.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 110.409 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.02 7.56 39.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.09 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -114.22 -19.84 11.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.72 0.43 57.71 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.47 1.107 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.1 mmt-85 -82.0 111.63 18.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 0.756 . . . . 0.0 110.291 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 12' ' ' MET . 89.0 m -54.45 105.49 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 108.3 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.551 ' CE ' HG21 ' A' ' 14' ' ' THR . 4.3 mttt -101.88 170.5 6.35 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.56 ' HB2' ' CD2' ' A' ' 23' ' ' PHE . 18.1 Cg_endo -75.05 145.2 31.0 Favored 'Trans proline' 0 C--N 1.358 1.067 0 O-C-N 124.575 1.829 . . . . 0.0 111.016 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.7 m -106.0 7.95 32.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.422 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.56 ' CD2' ' HB2' ' A' ' 21' ' ' PRO . 11.9 m-85 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.99 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -96.47 163.29 13.11 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -165.49 152.84 10.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.967 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -155.52 41.77 0.42 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 104.47 -37.3 3.85 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.454 1.096 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 158.93 -47.34 0.43 Allowed Glycine 0 CA--C 1.531 1.066 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 91.3 m -53.84 176.11 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.677 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 53.1 tp -82.94 -55.6 4.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.252 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.677 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 162.45 102.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 109.333 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 115.39 -40.26 2.5 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.542 1.151 . . . . 0.0 111.044 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -55.47 158.26 3.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 110.99 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.42 ' O ' ' HA ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -111.77 164.24 13.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.076 . . . . 0.0 111.046 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.1 mmt180 -105.25 107.21 18.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.309 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.3 p -65.98 -168.19 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.358 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.9 8.14 21.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.14 -20.68 10.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.59 -0.78 56.81 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.501 1.125 . . . . 0.0 111.01 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -80.38 111.3 16.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 0.76 . . . . 0.0 110.312 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 12' ' ' MET . 98.3 m -56.59 106.02 0.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.597 1.186 . . . . 0.0 108.325 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -103.11 170.19 6.55 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.56 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 18.3 Cg_endo -75.03 145.66 31.59 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.536 1.809 . . . . 0.0 110.985 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.9 m -102.33 7.46 40.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.455 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.56 ' CE2' ' HB3' ' A' ' 21' ' ' PRO . 21.8 p90 . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 7' ' ' CYS . 24.2 m120 -66.36 178.01 1.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -101.18 177.32 4.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 45.2 t30 61.24 42.23 12.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 104.57 -37.33 3.84 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 115.2 50.38 0.46 Allowed Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.494 ' O ' ' CB ' ' A' ' 2' ' ' ASN . 88.9 m -103.52 -178.71 3.74 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.683 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 54.5 tp -87.49 -55.75 3.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.683 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.81 100.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.16 -36.35 3.67 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -61.5 156.65 18.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 0.731 . . . . 0.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.411 ' N ' ' O ' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -113.06 158.21 20.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 111.031 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.419 ' O ' ' CG ' ' A' ' 13' ' ' ARG . 5.1 ppt_? -99.81 105.4 17.16 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.504 1.127 . . . . 0.0 110.324 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 42.7 p -59.78 -164.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.387 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.51 5.07 29.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.591 1.182 . . . . 0.0 109.22 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -117.75 -9.84 10.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.148 . . . . 0.0 109.312 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 93.73 -7.54 74.09 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.461 1.1 . . . . 0.0 110.993 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.32 112.29 3.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 0.764 . . . . 0.0 110.325 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 90.1 m -62.35 101.33 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 108.263 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -99.98 172.77 4.28 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.256 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.567 ' HB2' ' CD2' ' A' ' 23' ' ' PHE . 18.2 Cg_endo -75.04 144.56 30.25 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.502 1.791 . . . . 0.0 110.983 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 23' ' ' PHE . 11.1 m -110.49 8.33 23.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.332 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.567 ' CD2' ' HB2' ' A' ' 21' ' ' PRO . 12.5 m-85 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.543 1.152 . . . . 0.0 111.041 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -81.34 122.9 28.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.337 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.532 ' CG ' ' O ' ' A' ' 3' ' ' PHE . 7.7 p90 -55.87 124.14 16.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 110.997 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -94.15 48.11 1.23 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.472 ' CA ' ' NH2' ' A' ' 13' ' ' ARG . . . 106.61 -38.4 3.34 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.43 1.081 . . . . 0.0 110.938 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 137.99 44.77 0.08 OUTLIER Glycine 0 CA--C 1.531 1.061 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 83.4 m -100.73 -175.23 2.84 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.698 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 49.8 tp -89.38 -55.98 3.44 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.698 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.65 93.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.359 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 124.28 -39.56 2.12 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.452 1.095 . . . . 0.0 111.012 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -57.09 156.15 7.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 0.766 . . . . 0.0 111.036 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.408 ' O ' ' N ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -117.09 159.71 22.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.965 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.472 ' NH2' ' CA ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -97.72 103.11 15.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.532 1.145 . . . . 0.0 110.314 -179.89 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.604 HG23 ' HB2' ' A' ' 20' ' ' LYS . 8.9 p -55.54 -166.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 110.385 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.68 9.41 13.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -114.33 -17.71 11.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.434 ' HA2' ' CG ' ' A' ' 13' ' ' ARG . . . 96.49 3.12 59.93 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.583 1.177 . . . . 0.0 111.025 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.5 mtp180 -86.32 113.07 22.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 0.749 . . . . 0.0 110.313 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 92.2 m -56.85 98.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 108.309 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.604 ' HB2' HG23 ' A' ' 14' ' ' THR . 5.3 mttm -96.38 166.42 14.23 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.265 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.588 ' CB ' ' CZ ' ' A' ' 23' ' ' PHE . 18.4 Cg_endo -74.97 144.14 29.99 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.453 1.765 . . . . 0.0 111.011 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.0 m -83.31 6.77 18.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 110.365 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.588 ' CZ ' ' CB ' ' A' ' 21' ' ' PRO . 8.3 p90 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.407 ' HA ' ' OE1' ' A' ' 1' ' ' GLU . 3.0 tp10 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.3 m120 56.08 168.14 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.429 1.081 . . . . 0.0 109.314 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.54 ' CE1' ' C ' ' A' ' 5' ' ' GLY . 13.4 t80 -119.41 104.57 10.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.998 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -100.85 54.72 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.54 ' C ' ' CE1' ' A' ' 3' ' ' PHE . . . 109.25 -39.86 2.76 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 113.41 56.95 0.41 Allowed Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 57.6 m -97.73 -179.4 4.43 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.695 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 38.2 tp -86.4 -55.64 3.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.695 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.62 98.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 120.04 -37.29 3.14 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.47 1.106 . . . . 0.0 111.07 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -59.87 156.2 14.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 0.775 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -111.29 157.23 20.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.137 . . . . 0.0 110.956 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.8 ttp85 -97.97 104.83 16.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.697 HG23 ' O ' ' A' ' 18' ' ' ARG . 47.2 p -59.3 -151.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.434 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -96.26 1.95 52.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.21 -4.31 9.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.27 -8.2 72.37 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.462 1.101 . . . . 0.0 110.979 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.697 ' O ' HG23 ' A' ' 14' ' ' THR . 2.0 mtt85 -57.86 110.53 0.93 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 0.763 . . . . 0.0 110.344 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 95.6 m -67.23 94.73 0.38 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.107 . . . . 0.0 108.355 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.412 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 0.4 OUTLIER -96.27 174.73 3.15 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.567 ' HB2' ' CD2' ' A' ' 23' ' ' PHE . 18.3 Cg_endo -74.99 144.37 30.2 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.502 1.791 . . . . 0.0 111.013 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.9 m -109.8 8.25 24.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.407 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.567 ' CD2' ' HB2' ' A' ' 21' ' ' PRO . 12.4 m-85 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.573 1.171 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -151.96 165.1 35.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -104.95 -72.38 0.71 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.586 1.179 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -104.91 42.3 1.23 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 109.26 -35.21 5.06 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.639 1.212 . . . . 0.0 111.009 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -171.33 -71.96 0.04 OUTLIER Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.0 m -54.31 179.4 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.689 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 27.4 tp -83.44 -56.03 3.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.689 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.63 97.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 121.28 -37.94 2.82 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.424 1.078 . . . . 0.0 111.008 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.411 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 56.0 m-85 -58.93 155.32 13.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 0.798 . . . . 0.0 111.02 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.416 ' N ' ' O ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -110.88 162.63 14.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 111.013 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.14 104.11 16.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.48 ' CG2' ' HB2' ' A' ' 20' ' ' LYS . 55.0 p -65.39 -162.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.163 . . . . 0.0 110.401 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.66 22.03 4.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -130.61 7.06 4.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 71.55 10.64 71.28 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.451 1.094 . . . . 0.0 110.959 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.53 -170.28 2.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 0.747 . . . . 0.0 110.295 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 12' ' ' MET . 96.2 m -132.23 94.18 3.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 108.285 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.48 ' HB2' ' CG2' ' A' ' 14' ' ' THR . 8.9 mttp -95.75 172.38 5.34 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.567 ' HB2' ' CD2' ' A' ' 23' ' ' PHE . 18.4 Cg_endo -74.99 142.91 28.46 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.533 1.807 . . . . 0.0 111.031 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.5 m -108.34 8.26 27.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.369 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.567 ' CD2' ' HB2' ' A' ' 21' ' ' PRO . 12.2 m-85 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.584 1.178 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 53.62 174.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -117.3 157.3 26.33 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.468 1.105 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -92.34 36.09 1.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 103.08 -36.45 4.31 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.565 1.165 . . . . 0.0 111.098 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 105.46 60.47 0.63 Allowed Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 84.9 m -103.41 -178.29 3.62 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.689 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 47.0 tp -85.77 -56.14 3.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.689 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.56 95.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 121.89 -35.63 3.48 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.584 1.177 . . . . 0.0 110.995 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -62.99 154.83 29.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.774 . . . . 0.0 110.997 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.418 ' O ' ' N ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -114.98 159.33 20.88 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.424 1.077 . . . . 0.0 110.954 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.432 ' CG ' ' HA2' ' A' ' 17' ' ' GLY . 1.9 tmm_? -100.3 106.2 17.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.294 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.435 HG23 ' HB2' ' A' ' 20' ' ' LYS . 47.3 p -62.13 -163.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.403 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.1 8.75 19.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.3 -14.24 11.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.432 ' HA2' ' CG ' ' A' ' 13' ' ' ARG . . . 94.13 -3.8 70.24 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.528 1.142 . . . . 0.0 111.01 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -75.17 113.45 12.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.552 0.795 . . . . 0.0 110.323 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 12' ' ' MET . 93.1 m -60.75 99.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 108.25 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.435 ' HB2' HG23 ' A' ' 14' ' ' THR . 0.0 OUTLIER -97.18 171.49 5.96 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.567 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 18.3 Cg_endo -74.99 145.28 31.3 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.526 1.803 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.4 ' OG1' ' HG2' ' A' ' 12' ' ' MET . 20.7 m -105.54 8.04 33.17 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.483 1.114 . . . . 0.0 110.416 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.567 ' CE2' ' HB3' ' A' ' 21' ' ' PRO . 5.0 p90 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 110.944 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.404 ' CG ' ' O ' ' A' ' 6' ' ' GLY . 0.5 OUTLIER -54.32 172.01 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.695 ' CD2' HD12 ' A' ' 8' ' ' LEU . 39.6 t80 -40.34 -66.54 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 111.043 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 7' ' ' CYS . 17.3 p30 -98.28 5.69 48.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.34 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 109.22 -21.9 25.94 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.439 1.087 . . . . 0.0 110.958 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.404 ' O ' ' CG ' ' A' ' 2' ' ' ASN . . . -115.82 -73.36 0.53 Allowed Glycine 0 CA--C 1.531 1.069 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.442 ' O ' ' ND2' ' A' ' 4' ' ' ASN . 15.9 m -130.13 178.98 6.15 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.715 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 56.0 tp -73.92 -55.12 6.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.715 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.8 93.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 121.43 -36.05 3.4 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.552 1.158 . . . . 0.0 111.043 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -66.06 152.79 43.9 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.473 0.749 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.431 ' N ' ' O ' ' A' ' 20' ' ' LYS . 3.9 ptt? -111.3 157.13 20.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.75 104.02 16.0 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.456 HG23 ' HB2' ' A' ' 20' ' ' LYS . 7.7 p -64.06 -168.02 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.445 1.091 . . . . 0.0 110.347 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.78 9.03 17.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.165 . . . . 0.0 109.288 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -113.96 -20.96 10.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.29 -1.02 55.95 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.542 1.151 . . . . 0.0 110.975 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -81.86 111.03 17.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.761 . . . . 0.0 110.283 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.7 m -57.85 97.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 108.295 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.456 ' HB2' HG23 ' A' ' 14' ' ' THR . 3.1 mttt -91.33 169.05 12.14 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 23' ' ' PHE . 18.2 Cg_endo -75.02 145.04 30.89 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.448 1.762 . . . . 0.0 110.981 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 23.9 m -108.37 8.01 27.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.444 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.561 ' CZ ' ' HB3' ' A' ' 21' ' ' PRO . 4.9 p90 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.946 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 53.0 m-20 -122.54 137.48 54.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 109.357 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -60.42 162.1 6.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -111.37 49.24 0.89 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 104.68 -37.63 3.69 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.512 1.132 . . . . 0.0 110.961 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 136.38 51.61 0.07 OUTLIER Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.2 m -111.04 178.45 4.34 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.695 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 53.7 tp -84.07 -55.21 4.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.436 1.085 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.695 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 162.32 101.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.56 -40.52 2.36 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.454 1.097 . . . . 0.0 111.053 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.407 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 81.8 m-85 -55.57 154.58 6.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 0.75 . . . . 0.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.7 ptt? -110.68 159.79 17.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 111.023 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.63 106.29 18.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 110.242 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 38.7 p -64.25 -164.97 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.122 . . . . 0.0 110.417 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.94 1.21 44.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.267 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.44 -9.86 10.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.78 -8.04 70.75 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.478 1.111 . . . . 0.0 111.039 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.8 mmt85 -61.9 110.86 1.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 0.777 . . . . 0.0 110.281 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 89.8 m -61.33 99.85 0.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.403 1.065 . . . . 0.0 108.235 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -100.45 174.74 2.76 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.09 . . . . 0.0 109.291 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 23' ' ' PHE . 18.2 Cg_endo -75.07 144.45 30.03 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.52 1.8 . . . . 0.0 111.004 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 28.1 m -112.28 8.14 19.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.446 1.091 . . . . 0.0 110.382 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 21' ' ' PRO . 7.5 p90 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.165 . . . . 0.0 110.936 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 18.0 p-10 -46.72 170.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.391 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -110.21 165.32 11.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 174.59 40.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -112.76 37.91 3.45 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.438 1.086 . . . . 0.0 111.059 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -179.25 -37.07 0.07 OUTLIER Glycine 0 CA--C 1.529 0.941 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 68.4 m -72.14 -176.49 1.8 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.688 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 49.7 tp -93.37 -54.79 3.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.357 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.688 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 162.32 103.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.348 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.99 -36.64 3.83 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.573 1.171 . . . . 0.0 110.988 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -64.19 154.77 33.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.57 0.806 . . . . 0.0 111.076 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.423 ' O ' ' N ' ' A' ' 20' ' ' LYS . 6.3 ptt? -117.98 161.51 19.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.147 . . . . 0.0 111.08 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.444 ' CD ' ' SG ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -99.6 105.51 17.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 110.304 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.452 ' CG2' ' HB2' ' A' ' 20' ' ' LYS . 39.5 p -57.61 -157.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.167 . . . . 0.0 110.465 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.64 9.24 33.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.01 -18.48 11.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.92 0.96 57.33 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.508 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 0.4 OUTLIER -82.89 118.93 23.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 110.323 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.444 ' SG ' ' CD ' ' A' ' 13' ' ' ARG . 94.2 m -63.94 97.56 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 108.32 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.452 ' HB2' ' CG2' ' A' ' 14' ' ' THR . 1.0 OUTLIER -95.8 171.98 5.77 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.256 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.569 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 18.2 Cg_endo -75.08 145.26 30.94 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.517 1.799 . . . . 0.0 110.995 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.9 m -104.62 7.73 35.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.118 . . . . 0.0 110.321 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.569 ' CE2' ' HB3' ' A' ' 21' ' ' PRO . 11.4 p90 . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 110.946 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 57.7 t30 178.23 152.58 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.173 . . . . 0.0 109.296 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -175.24 84.15 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.511 1.132 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -105.57 57.03 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.289 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.403 ' CA ' ' NH2' ' A' ' 13' ' ' ARG . . . 110.49 -40.46 2.54 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.602 1.189 . . . . 0.0 110.962 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 128.04 50.41 0.14 Allowed Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 82.3 m -100.93 178.05 4.78 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.687 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 50.2 tp -81.51 -55.26 4.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.687 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.96 96.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.158 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.64 -42.36 1.78 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.432 1.082 . . . . 0.0 111.031 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -53.67 155.78 2.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 0.727 . . . . 0.0 110.975 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.418 ' O ' ' N ' ' A' ' 20' ' ' LYS . 8.1 ptt? -117.25 161.35 19.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 111.031 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.435 ' CG ' ' HA2' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -100.54 105.68 17.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.09 . . . . 0.0 110.28 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.48 ' CG2' ' HB2' ' A' ' 20' ' ' LYS . 39.4 p -57.44 -159.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.369 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -90.79 9.63 29.36 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.446 1.091 . . . . 0.0 109.258 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.34 -18.05 11.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.435 ' HA2' ' CG ' ' A' ' 13' ' ' ARG . . . 97.49 3.36 58.55 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.463 1.102 . . . . 0.0 111.027 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.501 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 8.7 ptm180 -85.53 118.92 25.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.755 . . . . 0.0 110.277 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 12' ' ' MET . 97.9 m -62.74 100.3 0.19 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.527 1.142 . . . . 0.0 108.295 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.48 ' HB2' ' CG2' ' A' ' 14' ' ' THR . 0.0 OUTLIER -99.17 170.29 7.06 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.421 1.076 . . . . 0.0 109.272 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.579 ' CB ' ' CZ ' ' A' ' 23' ' ' PHE . 18.4 Cg_endo -74.96 144.57 30.55 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.579 1.831 . . . . 0.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.8 m -89.42 7.5 35.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.412 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.579 ' CZ ' ' CB ' ' A' ' 21' ' ' PRO . 8.1 p90 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.3 m120 72.21 153.85 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -89.82 29.92 1.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 111.04 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.411 ' O ' ' OD1' ' A' ' 4' ' ' ASN . 11.3 t-20 -116.7 -2.37 11.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 101.83 -36.33 4.31 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.476 1.11 . . . . 0.0 111.038 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 140.94 73.9 0.04 OUTLIER Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.403 ' SG ' ' OD1' ' A' ' 4' ' ' ASN . 13.3 m -125.66 176.87 6.59 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.702 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 55.8 tp -75.71 -55.56 5.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.702 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.78 97.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.54 -40.49 2.21 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -54.63 154.34 5.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 0.761 . . . . 0.0 110.924 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -109.07 165.15 11.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.96 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.8 106.03 18.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.609 HG23 ' HB2' ' A' ' 20' ' ' LYS . 4.9 p -63.93 -168.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 110.482 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.22 -1.02 38.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.37 -1.22 8.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 93.11 -14.82 64.36 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.508 1.13 . . . . 0.0 110.964 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 57.8 mtt180 -49.82 112.18 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 0.753 . . . . 0.0 110.25 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 12' ' ' MET . 95.2 m -62.17 93.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 108.247 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.609 ' HB2' HG23 ' A' ' 14' ' ' THR . 1.1 mttm -92.0 170.27 9.62 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.548 ' HB3' ' CZ ' ' A' ' 23' ' ' PHE . 18.2 Cg_endo -74.97 143.19 28.87 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.486 1.782 . . . . 0.0 110.983 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.4 m -115.48 7.9 15.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 110.4 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.548 ' CZ ' ' HB3' ' A' ' 21' ' ' PRO . 6.7 p90 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -66.64 167.15 11.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.913 ' CB ' HH21 ' A' ' 13' ' ' ARG . 2.4 t80 -148.11 -51.43 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.994 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.409 ' O ' ' CG ' ' A' ' 4' ' ' ASN . 23.0 t-20 62.49 26.92 16.01 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -113.25 36.55 4.01 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.475 1.109 . . . . 0.0 110.995 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -171.15 -50.38 0.04 OUTLIER Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 93.8 m -51.94 179.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.682 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 52.1 tp -85.5 -55.59 3.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.682 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 162.05 98.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 109.262 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.53 -40.28 2.27 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.474 1.108 . . . . 0.0 111.064 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -55.33 156.64 4.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 0.787 . . . . 0.0 111.053 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.419 ' O ' ' HA ' ' A' ' 19' ' ' CYS . 1.7 ptt? -109.23 161.99 14.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 111.039 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.913 HH21 ' CB ' ' A' ' 3' ' ' PHE . 4.4 mtm180 -105.29 107.04 17.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.9 p -66.28 -168.0 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.434 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.32 7.55 21.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.459 ' OD2' ' CG ' ' A' ' 18' ' ' ARG . 26.1 t70 -114.91 -17.47 11.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 96.89 -2.03 61.64 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.47 1.106 . . . . 0.0 111.025 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.459 ' CG ' ' OD2' ' A' ' 16' ' ' ASP . 16.8 mmt180 -76.58 112.03 12.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 0.796 . . . . 0.0 110.264 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 12' ' ' MET . 96.5 m -59.49 105.87 0.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.085 . . . . 0.0 108.227 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.0 mptt -101.54 168.95 8.34 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.556 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 18.2 Cg_endo -75.11 144.44 29.91 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.499 1.789 . . . . 0.0 110.978 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.513 ' O ' HG22 ' A' ' 22' ' ' THR . 16.9 m -117.22 8.95 13.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.437 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.556 ' CE2' ' HB3' ' A' ' 21' ' ' PRO . 13.6 m-85 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.972 -179.935 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.402 ' HB3' ' CA ' ' A' ' 6' ' ' GLY . 22.5 m120 -142.58 170.19 16.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 109.225 -179.92 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -86.18 -61.04 1.84 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 111.041 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -126.57 50.07 1.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 107.2 -38.83 3.13 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.477 1.11 . . . . 0.0 111.011 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.402 ' CA ' ' HB3' ' A' ' 2' ' ' ASN . . . 111.74 56.52 0.47 Allowed Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 88.5 m -104.08 177.17 4.92 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 179.913 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.68 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 54.9 tp -81.52 -55.57 4.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.55 1.156 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.68 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.96 100.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 179.933 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.57 -39.13 2.79 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.466 1.104 . . . . 0.0 111.025 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.464 ' HE2' HD23 ' A' ' 8' ' ' LEU . 78.2 m-85 -57.63 156.34 8.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 0.736 . . . . 0.0 111.026 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.484 ' CG ' ' OG1' ' A' ' 22' ' ' THR . 19.0 ptt? -115.21 164.03 14.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 111.016 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.44 ' CG ' ' HA2' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -102.88 105.27 15.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 -179.867 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.449 ' CG2' ' HB2' ' A' ' 20' ' ' LYS . 39.3 p -59.76 -157.85 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.414 1.071 . . . . 0.0 110.39 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.69 8.3 37.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.41 -13.18 10.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.282 179.938 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.44 ' HA2' ' CG ' ' A' ' 13' ' ' ARG . . . 92.44 -0.48 71.26 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.45 1.094 . . . . 0.0 110.959 179.919 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.6 mtm180 -78.77 113.64 17.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 0.751 . . . . 0.0 110.281 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 12' ' ' MET . 96.5 m -57.31 106.65 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.173 . . . . 0.0 108.272 -179.94 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.449 ' HB2' ' CG2' ' A' ' 14' ' ' THR . 0.0 OUTLIER -105.85 172.87 3.6 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.137 . . . . 0.0 109.279 179.958 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 144.99 31.05 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.449 1.762 . . . . 0.0 111.06 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.491 ' O ' ' CG2' ' A' ' 22' ' ' THR . 0.9 OUTLIER -129.15 4.47 5.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 110.41 -179.994 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.7 p90 . . . . . 0 C--N 1.326 -0.426 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 179.963 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 64.4 t30 178.68 162.33 0.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.079 . . . . 0.0 109.405 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -105.15 -63.78 1.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 110.993 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 46.3 t30 176.8 43.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 104.92 -37.53 3.75 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.519 1.137 . . . . 0.0 111.072 -179.93 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 121.22 47.25 0.31 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 88.6 m -104.66 -176.16 3.0 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.925 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.686 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 53.3 tp -87.33 -55.66 3.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.335 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.686 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.87 97.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.58 1.175 . . . . 0.0 109.256 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.89 -32.6 4.9 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.488 1.117 . . . . 0.0 110.977 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -70.76 152.88 43.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 0.755 . . . . 0.0 110.924 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.42 ' O ' ' N ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -118.6 162.45 18.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 111.006 179.98 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.457 ' CG ' ' HA2' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -98.66 106.94 19.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.285 179.993 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.43 ' CG2' ' HB2' ' A' ' 20' ' ' LYS . 68.9 p -58.58 -153.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 110.438 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.05 9.69 38.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -114.69 -18.24 11.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.921 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.457 ' HA2' ' CG ' ' A' ' 13' ' ' ARG . . . 98.62 2.23 57.53 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.444 1.09 . . . . 0.0 110.975 179.937 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.792 HH21 ' CE ' ' A' ' 20' ' ' LYS . 1.8 ptt180 -85.14 119.39 25.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 0.751 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 87.8 m -62.9 98.43 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 108.314 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.792 ' CE ' HH21 ' A' ' 18' ' ' ARG . 0.1 OUTLIER -93.7 167.13 14.43 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.941 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 23' ' ' PHE . 18.4 Cg_endo -75.05 142.12 27.32 Favored 'Trans proline' 0 C--N 1.358 1.075 0 O-C-N 124.505 1.792 . . . . 0.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.4 m -104.7 7.56 34.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 110.407 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 21' ' ' PRO . 4.9 p90 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -134.0 14.52 3.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -106.81 171.69 7.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 111.026 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -100.83 54.82 0.86 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.431 1.082 . . . . 0.0 109.328 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.713 ' CA ' HH21 ' A' ' 13' ' ' ARG . . . 109.42 -39.83 2.77 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.527 1.142 . . . . 0.0 111.028 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 132.84 54.81 0.08 OUTLIER Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 62.0 m -112.74 179.75 3.89 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.689 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 46.6 tp -82.01 -55.74 4.39 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 109.257 179.954 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.689 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.54 95.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.401 1.063 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 121.39 -37.99 2.79 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.495 1.122 . . . . 0.0 111.044 -179.937 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.452 ' HE2' HD23 ' A' ' 8' ' ' LEU . 87.4 m-85 -59.16 154.68 15.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 0.766 . . . . 0.0 111.038 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.411 ' N ' ' O ' ' A' ' 20' ' ' LYS . 8.1 ptt? -112.73 161.76 16.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 111.021 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.713 HH21 ' CA ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -102.34 104.33 14.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.285 -179.944 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.475 ' CG2' ' HB2' ' A' ' 20' ' ' LYS . 29.7 p -63.58 -164.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 110.35 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.21 10.1 23.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.251 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.2 -19.75 11.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 97.13 1.93 59.39 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.547 1.155 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.9 mtm180 -85.59 112.37 20.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 0.777 . . . . 0.0 110.305 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 98.1 m -54.85 102.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 108.343 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.475 ' HB2' ' CG2' ' A' ' 14' ' ' THR . 18.2 mttt -96.11 168.24 11.02 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.132 . . . . 0.0 109.319 179.895 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.562 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 18.2 Cg_endo -74.96 144.5 30.47 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.495 1.787 . . . . 0.0 111.065 179.857 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.3 m -114.75 7.23 15.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.595 1.184 . . . . 0.0 110.395 -179.928 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.562 ' CE2' ' HB3' ' A' ' 21' ' ' PRO . 12.7 p90 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 111.032 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.8 m120 56.65 170.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.43 1.081 . . . . 0.0 109.292 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.644 ' CE1' ' NH2' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -92.48 163.58 13.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 111.059 179.994 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 172.8 40.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -116.01 38.66 2.98 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.466 1.104 . . . . 0.0 111.04 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -177.52 -51.49 0.07 OUTLIER Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 87.1 m -53.95 -179.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.701 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 57.2 tp -85.5 -56.32 3.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.701 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.03 96.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 121.83 -33.36 4.28 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.59 1.182 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -65.85 158.54 27.61 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.518 0.775 . . . . 0.0 111.034 179.955 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.417 ' O ' ' HA ' ' A' ' 19' ' ' CYS . 6.4 ptt? -114.34 161.11 18.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.972 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.644 ' NH2' ' CE1' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -102.99 106.9 17.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 179.957 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.489 HG23 ' O ' ' A' ' 18' ' ' ARG . 32.9 p -59.03 -153.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.388 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.11 4.98 53.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -116.61 -11.92 10.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.259 -179.932 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.418 ' HA2' ' CG ' ' A' ' 13' ' ' ARG . . . 96.23 -4.38 64.79 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.483 1.114 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.489 ' O ' HG23 ' A' ' 14' ' ' THR . 3.1 mtp85 -69.28 112.13 5.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 0.791 . . . . 0.0 110.3 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 12' ' ' MET . 85.4 m -62.44 100.36 0.18 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.472 1.107 . . . . 0.0 108.258 -179.91 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.466 ' HD3' HG21 ' A' ' 14' ' ' THR . 0.9 OUTLIER -98.18 164.6 16.93 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 179.932 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.43 ' CD ' ' HG3' ' A' ' 20' ' ' LYS . 18.1 Cg_endo -75.02 142.46 27.8 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.402 1.738 . . . . 0.0 111.009 179.917 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.497 ' O ' ' CG2' ' A' ' 22' ' ' THR . 0.9 OUTLIER -132.41 5.73 4.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.413 -179.961 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.2 p90 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.952 -179.975 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -98.23 162.79 13.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -108.35 99.12 8.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 171.44 41.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -123.65 40.43 1.97 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -169.39 -57.32 0.03 OUTLIER Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.5 m -55.45 -174.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.674 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 41.6 tp -96.41 -53.56 3.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.359 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.674 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 164.46 117.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.275 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.32 13.34 58.75 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.454 1.096 . . . . 0.0 110.991 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.43 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 26.1 m-85 -125.33 149.24 48.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 0.75 . . . . 0.0 111.045 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 20' ' ' LYS . 1.1 ptt? -118.44 157.63 26.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 111.017 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -94.67 102.48 14.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.26 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.404 ' H ' HG23 ' A' ' 14' ' ' THR . 35.9 p -58.95 -153.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.607 1.192 . . . . 0.0 110.402 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -99.71 9.31 43.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -114.23 -17.54 11.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.39 3.42 57.56 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.483 1.114 . . . . 0.0 110.996 179.874 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.494 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 16.0 ptt180 -86.9 117.67 25.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 0.0 110.341 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.2 m -68.59 100.3 1.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 108.311 -179.861 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 12' ' ' MET . 3.6 mmtt -103.26 167.48 10.13 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.544 ' CB ' ' CZ ' ' A' ' 23' ' ' PHE . 18.6 Cg_endo -74.93 143.08 28.88 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.461 1.769 . . . . 0.0 111.06 179.876 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.9 m -81.98 6.61 15.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.356 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.544 ' CZ ' ' CB ' ' A' ' 21' ' ' PRO . 8.1 p90 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 111.019 179.93 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -51.72 132.66 31.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.092 . . . . 0.0 109.279 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -174.33 128.37 0.35 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 110.99 179.948 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -153.33 46.74 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.315 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 105.95 -38.16 3.45 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 134.88 52.0 0.07 OUTLIER Glycine 0 CA--C 1.53 1.031 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 88.1 m -104.71 -177.37 3.34 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.679 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 51.2 tp -90.74 -55.32 3.61 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.949 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.679 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 162.42 99.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.28 -40.96 2.1 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.48 1.112 . . . . 0.0 111.046 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -54.95 155.65 4.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 0.735 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.473 ' HE2' ' HB3' ' A' ' 20' ' ' LYS . 7.7 ptt? -108.05 158.85 17.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 111.043 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.47 ' CD ' ' HA2' ' A' ' 17' ' ' GLY . 5.3 ttt180 -102.53 108.97 20.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.777 HG21 ' HD2' ' A' ' 20' ' ' LYS . 29.7 p -63.98 -156.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.541 1.151 . . . . 0.0 110.409 179.966 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.32 3.87 54.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.399 1.062 . . . . 0.0 109.257 -179.953 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.16 -2.52 9.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.254 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.47 ' HA2' ' CD ' ' A' ' 13' ' ' ARG . . . 92.16 -11.72 71.41 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 -179.941 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.751 ' O ' HG23 ' A' ' 14' ' ' THR . 5.9 mmt85 -54.54 112.73 1.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 0.779 . . . . 0.0 110.298 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 12' ' ' MET . 93.2 m -69.22 95.1 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 108.277 -179.952 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.777 ' HD2' HG21 ' A' ' 14' ' ' THR . 3.0 mttt -91.91 167.21 15.74 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.483 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 18.3 Cg_endo -74.98 144.42 30.29 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.373 1.723 . . . . 0.0 110.954 179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.445 ' O ' HG22 ' A' ' 22' ' ' THR . 51.1 m -116.27 8.29 14.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.38 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.483 ' CE2' ' HB3' ' A' ' 21' ' ' PRO . 4.9 p90 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 179.937 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.259 -0.275 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -122.19 140.5 52.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.938 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -58.51 178.73 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.583 1.177 . . . . 0.0 110.998 180.0 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -151.09 45.4 0.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 105.83 -38.02 3.52 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.56 1.162 . . . . 0.0 110.97 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 127.55 54.0 0.13 Allowed Glycine 0 CA--C 1.531 1.059 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 92.7 m -102.5 178.26 4.63 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.68 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 56.7 tp -85.59 -55.83 3.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.943 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.68 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.96 104.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.82 -34.46 4.98 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.511 1.132 . . . . 0.0 110.964 179.924 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -64.01 157.72 24.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 0.743 . . . . 0.0 110.981 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 20' ' ' LYS . 6.7 ptt? -112.84 158.53 20.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.959 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.448 ' CG ' ' O ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -102.05 105.65 16.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 -179.966 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.507 HG21 ' HD3' ' A' ' 20' ' ' LYS . 3.2 p -60.56 -167.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 110.465 179.954 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.42 3.96 22.66 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.564 1.165 . . . . 0.0 109.258 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.52 -16.49 11.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.92 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.71 -6.69 60.75 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.547 1.154 . . . . 0.0 110.938 179.916 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.7 mtp85 -67.42 110.64 3.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 0.771 . . . . 0.0 110.277 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.409 ' HA ' ' O ' ' A' ' 12' ' ' MET . 94.0 m -61.96 106.3 0.69 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 108.227 -179.962 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.507 ' HD3' HG21 ' A' ' 14' ' ' THR . 0.0 OUTLIER -108.64 168.19 8.14 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 -179.973 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 142.77 28.53 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.516 1.798 . . . . 0.0 111.044 179.852 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.506 ' O ' ' CG2' ' A' ' 22' ' ' THR . 0.8 OUTLIER -130.83 4.31 4.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.42 1.075 . . . . 0.0 110.354 -179.997 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.6 p90 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.959 -179.993 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -162.38 133.05 4.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 63.2 t80 43.23 92.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.556 1.16 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -107.91 58.25 0.62 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 109.255 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 110.99 -40.69 2.46 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.132 . . . . 0.0 111.047 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -177.19 -66.09 0.06 OUTLIER Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 88.4 m -50.58 175.08 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.686 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 54.7 tp -79.98 -55.63 4.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.686 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.91 100.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.95 -39.11 2.77 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -57.56 157.08 7.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 0.77 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.411 ' O ' ' HA ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -112.63 166.3 11.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 110.969 -179.995 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.65 107.88 19.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 110.282 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.546 HG21 ' HD2' ' A' ' 20' ' ' LYS . 42.9 p -62.1 -153.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 0.0 110.442 179.914 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -100.88 9.77 41.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -114.5 -17.6 11.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.6 2.68 57.49 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.473 1.108 . . . . 0.0 110.97 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.498 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 8.1 ptm180 -85.55 118.71 25.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 0.776 . . . . 0.0 110.301 -179.945 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 12' ' ' MET . 89.6 m -61.71 107.37 0.81 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 108.34 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.546 ' HD2' HG21 ' A' ' 14' ' ' THR . 1.1 mttm -101.11 168.35 9.33 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.459 ' HB3' ' CE2' ' A' ' 23' ' ' PHE . 18.5 Cg_endo -74.94 145.69 32.0 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.446 1.761 . . . . 0.0 111.013 -179.952 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.503 ' O ' HG22 ' A' ' 22' ' ' THR . 15.6 m -117.05 7.89 13.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 110.434 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.459 ' CE2' ' HB3' ' A' ' 21' ' ' PRO . 47.9 p90 . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.587 1.179 . . . . 0.0 110.925 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.402 ' H ' ' NH2' ' A' ' 13' ' ' ARG . 0.9 OUTLIER 65.47 14.63 9.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.283 179.893 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -133.06 -53.5 0.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.977 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 173.7 40.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.108 . . . . 0.0 109.328 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -116.31 38.72 2.94 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -163.42 -51.84 0.02 OUTLIER Glycine 0 CA--C 1.529 0.925 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 54.6 m -54.93 179.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.712 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 31.7 tp -79.32 -57.78 3.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.712 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.26 88.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.35 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.16 -36.92 2.3 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.526 1.141 . . . . 0.0 111.028 -179.933 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.402 ' HE1' HD23 ' A' ' 8' ' ' LEU . 88.1 m-85 -56.65 157.29 5.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 0.736 . . . . 0.0 111.022 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.408 ' N ' ' O ' ' A' ' 20' ' ' LYS . 5.4 ptt? -109.24 160.07 16.42 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.104 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.402 ' NH2' ' H ' ' A' ' 2' ' ' ASN . 4.7 mtt180 -98.23 105.24 17.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.408 ' CG2' ' HB2' ' A' ' 20' ' ' LYS . 64.7 p -64.97 -162.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.381 179.95 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.93 21.34 4.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.348 179.92 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -129.98 6.45 5.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 73.41 9.18 77.26 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.521 1.138 . . . . 0.0 110.959 -179.985 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.89 -170.25 1.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 0.77 . . . . 0.0 110.331 -179.954 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 87.2 m -133.39 93.7 3.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 108.308 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.408 ' HB2' ' CG2' ' A' ' 14' ' ' THR . 8.7 mptt -92.62 167.0 15.53 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.569 ' HB2' ' CD2' ' A' ' 23' ' ' PHE . 18.2 Cg_endo -75.05 142.18 27.39 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.467 1.772 . . . . 0.0 111.007 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.0 m -101.66 8.11 41.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.342 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.569 ' CD2' ' HB2' ' A' ' 21' ' ' PRO . 11.3 m-85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 111.075 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -105.51 14.56 28.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -87.56 128.41 35.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.097 . . . . 0.0 111.016 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -93.74 44.18 1.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 109.304 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 105.21 -37.75 3.65 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.56 1.163 . . . . 0.0 111.014 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 139.38 56.7 0.04 OUTLIER Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.976 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 61.2 m -110.93 179.93 3.91 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.972 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.698 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 56.3 tp -81.4 -56.33 4.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.353 179.961 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.698 ' HB2' ' O ' ' A' ' 8' ' ' LEU . . . 161.25 95.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 121.89 -33.76 4.13 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 179.959 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.515 ' HE2' HD23 ' A' ' 8' ' ' LEU . 82.5 m-85 -64.96 154.96 36.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.55 0.794 . . . . 0.0 110.952 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.404 ' N ' ' O ' ' A' ' 20' ' ' LYS . 6.9 ptt? -115.65 162.29 17.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 111.047 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -100.2 103.8 15.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 110.301 -179.94 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.472 ' CG2' ' HB2' ' A' ' 20' ' ' LYS . 32.7 p -58.96 -154.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.381 -179.898 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -98.81 9.64 42.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -114.52 -17.33 11.74 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.505 1.128 . . . . 0.0 109.247 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 97.69 3.69 58.24 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 -179.885 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.496 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 11.8 ptm180 -87.26 119.98 28.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 0.771 . . . . 0.0 110.322 179.945 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 87.9 m -63.66 105.96 0.89 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 108.319 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.472 ' HB2' ' CG2' ' A' ' 14' ' ' THR . 0.3 OUTLIER -103.52 173.43 3.44 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 -179.924 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.509 ' HB2' ' CD2' ' A' ' 23' ' ' PHE . 18.4 Cg_endo -74.95 144.34 30.32 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.486 1.782 . . . . 0.0 111.028 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 23' ' ' PHE . 16.2 m -108.87 8.25 26.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 110.39 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.509 ' CD2' ' HB2' ' A' ' 21' ' ' PRO . 11.3 m-85 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.958 179.973 . . . . . . . . 1 1 . 1 stop_ save_